1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

C164H148F3N23O9 — CID 157486332

IUPAC1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
SMILESCCOc1cc(N2CCC(N3CCCCC3)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4ccc(C)nc4)cc3c21.CCOc1cc(N2CCC(N3CCCCC3)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCCC6=O)cc5)c4c3c2)cn1.Cc1ccc(Cc2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cn1.O=C1CCCN1c1ccc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1
InChIInChI=1S/C39H39N5O2.C36H39N5O2.C31H22N4O2.C30H26F3N5O.C28H22N4O2/c1-2-46-37-24-32(43-20-16-31(17-21-43)42-18-6-3-7-19-42)12-14-36(37)44-38(45)15-11-29-25-41-35-13-10-27(23-33(35)39(29)44)30-22-28-8-4-5-9-34(28)40-26-30;1-3-43-34-22-30(40-19-15-29(16-20-40)39-17-5-4-6-18-39)11-13-33(34)41-35(42)14-10-28-24-38-32-12-9-26(21-31(32)36(28)41)27-8-7-25(2)37-23-27;36-29-6-3-15-34(29)24-9-11-25(12-10-24)35-30(37)14-8-22-18-33-28-13-7-20(17-26(28)31(22)35)23-16-21-4-1-2-5-27(21)32-19-23;1-19-2-3-21(17-35-19)14-20-4-7-26-24(15-20)29-22(18-36-26)5-9-28(39)38(29)23-6-8-27(25(16-23)30(31,32)33)37-12-10-34-11-13-37;1-18-4-5-20(16-29-18)19-6-12-25-24(15-19)28-21(17-30-25)7-13-27(34)32(28)23-10-8-22(9-11-23)31-14-2-3-26(31)33/h4-5,8-15,22-26,31H,2-3,6-7,16-21H2,1H3;7-14,21-24,29H,3-6,15-20H2,1-2H3;1-2,4-5,7-14,16-19H,3,6,15H2;2-9,15-18,34H,10-14H2,1H3;4-13,15-17H,2-3,14H2,1H3
InChIKeyBWTFLXRFENBOOC-UHFFFAOYSA-N
MW2642.13 g/mol
LogP30.55
Rot. Bonds22

About 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 157486332) has the molecular formula C164H148F3N23O9 and a molecular weight of 2642.13 g/mol. Its IUPAC name is 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
PubChem CID157486332
Molecular FormulaC164H148F3N23O9
Molecular Weight2642.13 g/mol
Exact Mass2640.18
IUPAC Name1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
SMILESCCOc1cc(N2CCC(N3CCCCC3)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4ccc(C)nc4)cc3c21.CCOc1cc(N2CCC(N3CCCCC3)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCCC6=O)cc5)c4c3c2)cn1.Cc1ccc(Cc2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cn1.O=C1CCCN1c1ccc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1
InChIInChI=1S/C39H39N5O2.C36H39N5O2.C31H22N4O2.C30H26F3N5O.C28H22N4O2/c1-2-46-37-24-32(43-20-16-31(17-21-43)42-18-6-3-7-19-42)12-14-36(37)44-38(45)15-11-29-25-41-35-13-10-27(23-33(35)39(29)44)30-22-28-8-4-5-9-34(28)40-26-30;1-3-43-34-22-30(40-19-15-29(16-20-40)39-17-5-4-6-18-39)11-13-33(34)41-35(42)14-10-28-24-38-32-12-9-26(21-31(32)36(28)41)27-8-7-25(2)37-23-27;36-29-6-3-15-34(29)24-9-11-25(12-10-24)35-30(37)14-8-22-18-33-28-13-7-20(17-26(28)31(22)35)23-16-21-4-1-2-5-27(21)32-19-23;1-19-2-3-21(17-35-19)14-20-4-7-26-24(15-20)29-22(18-36-26)5-9-28(39)38(29)23-6-8-27(25(16-23)30(31,32)33)37-12-10-34-11-13-37;1-18-4-5-20(16-29-18)19-6-12-25-24(15-19)28-21(17-30-25)7-13-27(34)32(28)23-10-8-22(9-11-23)31-14-2-3-26(31)33/h4-5,8-15,22-26,31H,2-3,6-7,16-21H2,1H3;7-14,21-24,29H,3-6,15-20H2,1-2H3;1-2,4-5,7-14,16-19H,3,6,15H2;2-9,15-18,34H,10-14H2,1H3;4-13,15-17H,2-3,14H2,1H3
InChIKeyBWTFLXRFENBOOC-UHFFFAOYSA-N
XLogP30.55
TPSA326.21 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002642.13
LogP ≤ 530.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(4-(4-aminopiperidin-1-yl)-2-methoxyphenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49780810
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 90773905
N-methyl-2-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenoxy]acetamide;9-(6-methyl-3-pyridinyl)-1-(4-morpholin-4-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-(4-piperidin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxo-2-piperidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 157400524
1-(4-fluoro-3-methoxyphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 157484987
1-[2-Ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 157982037
N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
CID 158079181
1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one
CID 158330450
N-methyl-2-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenoxy]acetamide;9-(6-methyl-3-pyridinyl)-1-(4-morpholin-4-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-(4-piperidin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxo-2-piperidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 158601141
(Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 158673947
1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one
CID 159430619
1-[4-(4-Acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 160571960
N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one
CID 160799941

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (CID 157486332) is 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is CCOc1cc(N2CCC(N3CCCCC3)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4ccc(C)nc4)cc3c21.CCOc1cc(N2CCC(N3CCCCC3)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCCC6=O)cc5)c4c3c2)cn1.Cc1ccc(Cc2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cn1.O=C1CCCN1c1ccc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1.
What is the InChIKey of 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The InChIKey is BWTFLXRFENBOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39N5O2.C36H39N5O2.C31H22N4O2.C30H26F3N5O.C28H22N4O2/c1-2-46-37-24-32(43-20-16-31(17-21-43)42-18-6-3-7-19-42)12-14-36(37)44-38(45)15-11-29-25-41-35-13-10-27(23-33(35)39(29)44)30-22-28-8-4-5-9-34(28)40-26-30;1-3-43-34-22-30(40-19-15-29(16-20-40)39-17-5-4-6-18-39)11-13-33(34)41-35(42)14-10-28-24-38-32-12-9-26(21-31(32)36(28)41)27-8-7-25(2)37-23-27;36-29-6-3-15-34(29)24-9-11-25(12-10-24)35-30(37)14-8-22-18-33-28-13-7-20(17-26(28)31(22)35)23-16-21-4-1-2-5-27(21)32-19-23;1-19-2-3-21(17-35-19)14-20-4-7-26-24(15-20)29-22(18-36-26)5-9-28(39)38(29)23-6-8-27(25(16-23)30(31,32)33)37-12-10-34-11-13-37;1-18-4-5-20(16-29-18)19-6-12-25-24(15-19)28-21(17-30-25)7-13-27(34)32(28)23-10-8-22(9-11-23)31-14-2-3-26(31)33/h4-5,8-15,22-26,31H,2-3,6-7,16-21H2,1H3;7-14,21-24,29H,3-6,15-20H2,1-2H3;1-2,4-5,7-14,16-19H,3,6,15H2;2-9,15-18,34H,10-14H2,1H3;4-13,15-17H,2-3,14H2,1H3.
What are the key properties of 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 2642.13 g/mol, XLogP of 30.55, 22 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-[(6-methyl-3-pyridinyl)methyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxopyrrolidin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 157486332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).