9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

C122H94FN23O7 — CID 159121926

IUPAC9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
SMILESCN(C)CCn1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.COc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1F.Cc1ccc(-c2ccc3ncc4ccc(=O)n(C)c4c3c2)cn1.Cn1c(=O)ccc2cnc3ccc(-c4cnc(N)nc4)cc3c21.Cn1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.Cn1cc(-c2ccc3ncc4ccc(=O)n(C)c4c3c2)cn1
InChIInChI=1S/C25H22N4O.C22H15FN4O2.C22H15N3O.C19H15N3O.C17H13N5O.C17H14N4O/c1-28(2)11-12-29-24(30)10-8-19-15-27-23-9-7-17(14-21(23)25(19)29)20-13-18-5-3-4-6-22(18)26-16-20;1-29-20-9-16(4-5-18(20)23)27-21(28)7-3-14-10-24-19-6-2-13(8-17(19)22(14)27)15-11-25-26-12-15;1-25-21(26)9-7-16-12-24-20-8-6-14(11-18(20)22(16)25)17-10-15-4-2-3-5-19(15)23-13-17;1-12-3-4-14(10-20-12)13-5-7-17-16(9-13)19-15(11-21-17)6-8-18(23)22(19)2;1-22-15(23)5-3-11-7-19-14-4-2-10(6-13(14)16(11)22)12-8-20-17(18)21-9-12;1-20-10-13(9-19-20)11-3-5-15-14(7-11)17-12(8-18-15)4-6-16(22)21(17)2/h3-10,13-16H,11-12H2,1-2H3;2-12H,1H3,(H,25,26);2-13H,1H3;3-11H,1-2H3;2-9H,1H3,(H2,18,20,21);3-10H,1-2H3
InChIKeyKFULRJWFFUFDQG-UHFFFAOYSA-N
MW2013.25 g/mol
LogP20.78
Rot. Bonds11

About 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 159121926) has the molecular formula C122H94FN23O7 and a molecular weight of 2013.25 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
PubChem CID159121926
Molecular FormulaC122H94FN23O7
Molecular Weight2013.25 g/mol
Exact Mass2011.77
IUPAC Name9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
SMILESCN(C)CCn1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.COc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1F.Cc1ccc(-c2ccc3ncc4ccc(=O)n(C)c4c3c2)cn1.Cn1c(=O)ccc2cnc3ccc(-c4cnc(N)nc4)cc3c21.Cn1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.Cn1cc(-c2ccc3ncc4ccc(=O)n(C)c4c3c2)cn1
InChIInChI=1S/C25H22N4O.C22H15FN4O2.C22H15N3O.C19H15N3O.C17H13N5O.C17H14N4O/c1-28(2)11-12-29-24(30)10-8-19-15-27-23-9-7-17(14-21(23)25(19)29)20-13-18-5-3-4-6-22(18)26-16-20;1-29-20-9-16(4-5-18(20)23)27-21(28)7-3-14-10-24-19-6-2-13(8-17(19)22(14)27)15-11-25-26-12-15;1-25-21(26)9-7-16-12-24-20-8-6-14(11-18(20)22(16)25)17-10-15-4-2-3-5-19(15)23-13-17;1-12-3-4-14(10-20-12)13-5-7-17-16(9-13)19-15(11-21-17)6-8-18(23)22(19)2;1-22-15(23)5-3-11-7-19-14-4-2-10(6-13(14)16(11)22)12-8-20-17(18)21-9-12;1-20-10-13(9-19-20)11-3-5-15-14(7-11)17-12(8-18-15)4-6-16(22)21(17)2/h3-10,13-16H,11-12H2,1-2H3;2-12H,1H3,(H,25,26);2-13H,1H3;3-11H,1-2H3;2-9H,1H3,(H2,18,20,21);3-10H,1-2H3
InChIKeyKFULRJWFFUFDQG-UHFFFAOYSA-N
XLogP20.78
TPSA358.78 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds11
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002013.25
LogP ≤ 520.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one with MolForge

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Related Compounds

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1-[4-[4-(5-fluoropyrimidin-2-yl)phenyl]piperazin-1-yl]-2-[(3R)-3-[3-(4-methoxyphenyl)-1H-pyrazolo[5,4-g]quinazolin-6-yl]pyrrolidin-1-yl]ethanone
CID 25134127
1-(1-tert-butyl-3-quinazolin-6-ylpyrazol-4-yl)-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69296919
1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-yl-3-quinazolin-6-ylpyrazol-4-yl)urea
CID 69297679
1-(3-fluoro-5-methyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589403
1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122599171
N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide
CID 145161792
1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 145161877
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
9-(2-aminopyrimidin-5-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(6-methyl-3-pyridinyl)benzo[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-(1-methylpyrazol-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 158061529
1-[4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate
CID 160297895
4-tert-butylcinnoline;4-tert-butyl-N,N-dimethylpyrimidin-2-amine;5-tert-butyl-1H-indazole;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;3-tert-butyl-6-methylidene-1H-pyridazine;5-tert-butyl-1-methylindazole;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;3-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;2-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine;methane
CID 161823972

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (CID 159121926) is 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is CN(C)CCn1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.COc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1F.Cc1ccc(-c2ccc3ncc4ccc(=O)n(C)c4c3c2)cn1.Cn1c(=O)ccc2cnc3ccc(-c4cnc(N)nc4)cc3c21.Cn1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.Cn1cc(-c2ccc3ncc4ccc(=O)n(C)c4c3c2)cn1.
What is the InChIKey of 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The InChIKey is KFULRJWFFUFDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O.C22H15FN4O2.C22H15N3O.C19H15N3O.C17H13N5O.C17H14N4O/c1-28(2)11-12-29-24(30)10-8-19-15-27-23-9-7-17(14-21(23)25(19)29)20-13-18-5-3-4-6-22(18)26-16-20;1-29-20-9-16(4-5-18(20)23)27-21(28)7-3-14-10-24-19-6-2-13(8-17(19)22(14)27)15-11-25-26-12-15;1-25-21(26)9-7-16-12-24-20-8-6-14(11-18(20)22(16)25)17-10-15-4-2-3-5-19(15)23-13-17;1-12-3-4-14(10-20-12)13-5-7-17-16(9-13)19-15(11-21-17)6-8-18(23)22(19)2;1-22-15(23)5-3-11-7-19-14-4-2-10(6-13(14)16(11)22)12-8-20-17(18)21-9-12;1-20-10-13(9-19-20)11-3-5-15-14(7-11)17-12(8-18-15)4-6-16(22)21(17)2/h3-10,13-16H,11-12H2,1-2H3;2-12H,1H3,(H,25,26);2-13H,1H3;3-11H,1-2H3;2-9H,1H3,(H2,18,20,21);3-10H,1-2H3.
What are the key properties of 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 2013.25 g/mol, XLogP of 20.78, 11 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminopyrimidin-5-yl)-1-methylbenzo[h][1,6]naphthyridin-2-one;1-[2-(dimethylamino)ethyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-methyl-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159121926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).