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

C157H133F6N23O9S2 — CID 160799941

IUPACN-(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
SMILESCOc1cc(N2CCC(N)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4ccc(C)nc4)cc3c21.COc1cc(N2CCC(N)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(CN6CCN(C)CC6)cc5)c4c3c2)cn1.NCCNC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cccs6)cc5c43)cc2C(F)(F)F)cc1.NCCNC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccsc6)cc5c43)cc2C(F)(F)F)cc1
InChIInChI=1S/C33H29N5O2.2C32H23F3N4O2S.C30H29N5O2.C30H29N5O/c1-40-31-18-26(37-14-12-25(34)13-15-37)8-10-30(31)38-32(39)11-7-23-19-36-29-9-6-21(17-27(29)33(23)38)24-16-22-4-2-3-5-28(22)35-20-24;33-32(34,35)27-16-24(7-8-25(27)19-1-3-20(4-2-19)31(41)37-13-12-36)39-29(40)10-6-22-17-38-28-9-5-21(15-26(28)30(22)39)23-11-14-42-18-23;33-32(34,35)26-17-23(9-10-24(26)19-3-5-20(6-4-19)31(41)37-14-13-36)39-29(40)12-8-22-18-38-27-11-7-21(16-25(27)30(22)39)28-2-1-15-42-28;1-19-3-4-21(17-32-19)20-5-8-26-25(15-20)30-22(18-33-26)6-10-29(36)35(30)27-9-7-24(16-28(27)37-2)34-13-11-23(31)12-14-34;1-21-3-6-24(18-31-21)23-7-11-28-27(17-23)30-25(19-32-28)8-12-29(36)35(30)26-9-4-22(5-10-26)20-34-15-13-33(2)14-16-34/h2-11,16-20,25H,12-15,34H2,1H3;1-11,14-18H,12-13,36H2,(H,37,41);1-12,15-18H,13-14,36H2,(H,37,41);3-10,15-18,23H,11-14,31H2,1-2H3;3-12,17-19H,13-16,20H2,1-2H3
InChIKeySCYCNAFNDZUTNP-UHFFFAOYSA-N
MW2664.06 g/mol
LogP28.48
Rot. Bonds24

About 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

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 (PubChem CID 160799941) has the molecular formula C157H133F6N23O9S2 and a molecular weight of 2664.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID160799941
Molecular FormulaC157H133F6N23O9S2
Molecular Weight2664.06 g/mol
Exact Mass2662.00
IUPAC NameN-(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
SMILESCOc1cc(N2CCC(N)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4ccc(C)nc4)cc3c21.COc1cc(N2CCC(N)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(CN6CCN(C)CC6)cc5)c4c3c2)cn1.NCCNC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cccs6)cc5c43)cc2C(F)(F)F)cc1.NCCNC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccsc6)cc5c43)cc2C(F)(F)F)cc1
InChIInChI=1S/C33H29N5O2.2C32H23F3N4O2S.C30H29N5O2.C30H29N5O/c1-40-31-18-26(37-14-12-25(34)13-15-37)8-10-30(31)38-32(39)11-7-23-19-36-29-9-6-21(17-27(29)33(23)38)24-16-22-4-2-3-5-28(22)35-20-24;33-32(34,35)27-16-24(7-8-25(27)19-1-3-20(4-2-19)31(41)37-13-12-36)39-29(40)10-6-22-17-38-28-9-5-21(15-26(28)30(22)39)23-11-14-42-18-23;33-32(34,35)26-17-23(9-10-24(26)19-3-5-20(6-4-19)31(41)37-14-13-36)39-29(40)12-8-22-18-38-27-11-7-21(16-25(27)30(22)39)28-2-1-15-42-28;1-19-3-4-21(17-32-19)20-5-8-26-25(15-20)30-22(18-33-26)6-10-29(36)35(30)27-9-7-24(16-28(27)37-2)34-13-11-23(31)12-14-34;1-21-3-6-24(18-31-21)23-7-11-28-27(17-23)30-25(19-32-28)8-12-29(36)35(30)26-9-4-22(5-10-26)20-34-15-13-33(2)14-16-34/h2-11,16-20,25H,12-15,34H2,1H3;1-11,14-18H,12-13,36H2,(H,37,41);1-12,15-18H,13-14,36H2,(H,37,41);3-10,15-18,23H,11-14,31H2,1-2H3;3-12,17-19H,13-16,20H2,1-2H3
InChIKeySCYCNAFNDZUTNP-UHFFFAOYSA-N
XLogP28.48
TPSA406.82 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002664.06
LogP ≤ 528.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
CID 160880090
4-[(E)-3,3-dimethylbut-1-enyl]-2-methyl-N-quinolin-3-ylbenzamide;4-(3,3-dimethylbut-1-ynyl)-N-[(3S)-3-ethyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-2-methylbenzamide;4-(3,3-dimethylbut-1-ynyl)-2-methyl-N-(1-methylisoquinolin-5-yl)benzamide;N-[(3S)-3-ethyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-2-fluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[(3S)-3-ethyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(1-methylisoquinolin-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(7-methylnaphthalen-1-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 161768515
9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(1H-inden-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-2-one
CID 162166628
[4-[(4-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;cyclohexyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-(3-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-phenyl-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide
CID 157183710

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N2CCC(N)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4ccc(C)nc4)cc3c21.COc1cc(N2CCC(N)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(CN6CCN(C)CC6)cc5)c4c3c2)cn1.NCCNC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cccs6)cc5c43)cc2C(F)(F)F)cc1.NCCNC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccsc6)cc5c43)cc2C(F)(F)F)cc1.
What is the InChIKey of 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?
The InChIKey is SCYCNAFNDZUTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N5O2.2C32H23F3N4O2S.C30H29N5O2.C30H29N5O/c1-40-31-18-26(37-14-12-25(34)13-15-37)8-10-30(31)38-32(39)11-7-23-19-36-29-9-6-21(17-27(29)33(23)38)24-16-22-4-2-3-5-28(22)35-20-24;33-32(34,35)27-16-24(7-8-25(27)19-1-3-20(4-2-19)31(41)37-13-12-36)39-29(40)10-6-22-17-38-28-9-5-21(15-26(28)30(22)39)23-11-14-42-18-23;33-32(34,35)26-17-23(9-10-24(26)19-3-5-20(6-4-19)31(41)37-14-13-36)39-29(40)12-8-22-18-38-27-11-7-21(16-25(27)30(22)39)28-2-1-15-42-28;1-19-3-4-21(17-32-19)20-5-8-26-25(15-20)30-22(18-33-26)6-10-29(36)35(30)27-9-7-24(16-28(27)37-2)34-13-11-23(31)12-14-34;1-21-3-6-24(18-31-21)23-7-11-28-27(17-23)30-25(19-32-28)8-12-29(36)35(30)26-9-4-22(5-10-26)20-34-15-13-33(2)14-16-34/h2-11,16-20,25H,12-15,34H2,1H3;1-11,14-18H,12-13,36H2,(H,37,41);1-12,15-18H,13-14,36H2,(H,37,41);3-10,15-18,23H,11-14,31H2,1-2H3;3-12,17-19H,13-16,20H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2664.06 g/mol, XLogP of 28.48, 24 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160799941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).