8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one

C112H90Cl2N18O5 — CID 160779714

IUPAC8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one
SMILESCOc1ccc(-c2cccc3cc([C@H](C)Cc4nccc5cccnc45)n(-c4ccccc4)c(=O)c23)cn1.C[C@H](Nc1ccnc2cccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnc2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1cccc(-n2c([C@H](C)Nc3ccnc4cccnc34)cc3cccc(Cl)c3c2=O)c1
InChIInChI=1S/C32H26N4O2.C29H24N6O.C26H21ClN4O.C25H19ClN4O/c1-21(18-27-31-22(15-17-33-27)9-7-16-34-31)28-19-23-8-6-12-26(24-13-14-29(38-2)35-20-24)30(23)32(37)36(28)25-10-4-3-5-11-25;1-19(33-25-13-15-30-24-12-7-14-31-28(24)25)26-16-20-8-6-11-23(21-17-32-34(2)18-21)27(20)29(36)35(26)22-9-4-3-5-10-22;1-16-6-3-8-19(14-16)31-23(15-18-7-4-9-20(27)24(18)26(31)32)17(2)30-22-11-13-28-21-10-5-12-29-25(21)22;1-16(29-21-12-14-27-20-11-6-13-28-24(20)21)22-15-17-7-5-10-19(26)23(17)25(31)30(22)18-8-3-2-4-9-18/h3-17,19-21H,18H2,1-2H3;3-19H,1-2H3,(H,30,33);3-15,17H,1-2H3,(H,28,30);2-16H,1H3,(H,27,29)/t21-;19-;17-;16-/m1000/s1
InChIKeySAKIPHLNIHWRDD-JWKMYSCQSA-N
MW1838.98 g/mol
LogP23.69
Rot. Bonds19

About 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one

8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one (PubChem CID 160779714) has the molecular formula C112H90Cl2N18O5 and a molecular weight of 1838.98 g/mol. Its IUPAC name is 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one
PubChem CID160779714
Molecular FormulaC112H90Cl2N18O5
Molecular Weight1838.98 g/mol
Exact Mass1836.67
IUPAC Name8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one
SMILESCOc1ccc(-c2cccc3cc([C@H](C)Cc4nccc5cccnc45)n(-c4ccccc4)c(=O)c23)cn1.C[C@H](Nc1ccnc2cccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnc2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1cccc(-n2c([C@H](C)Nc3ccnc4cccnc34)cc3cccc(Cl)c3c2=O)c1
InChIInChI=1S/C32H26N4O2.C29H24N6O.C26H21ClN4O.C25H19ClN4O/c1-21(18-27-31-22(15-17-33-27)9-7-16-34-31)28-19-23-8-6-12-26(24-13-14-29(38-2)35-20-24)30(23)32(37)36(28)25-10-4-3-5-11-25;1-19(33-25-13-15-30-24-12-7-14-31-28(24)25)26-16-20-8-6-11-23(21-17-32-34(2)18-21)27(20)29(36)35(26)22-9-4-3-5-10-22;1-16-6-3-8-19(14-16)31-23(15-18-7-4-9-20(27)24(18)26(31)32)17(2)30-22-11-13-28-21-10-5-12-29-25(21)22;1-16(29-21-12-14-27-20-11-6-13-28-24(20)21)22-15-17-7-5-10-19(26)23(17)25(31)30(22)18-8-3-2-4-9-18/h3-17,19-21H,18H2,1-2H3;3-19H,1-2H3,(H,30,33);3-15,17H,1-2H3,(H,28,30);2-16H,1H3,(H,27,29)/t21-;19-;17-;16-/m1000/s1
InChIKeySAKIPHLNIHWRDD-JWKMYSCQSA-N
XLogP23.69
TPSA267.15 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001838.98
LogP ≤ 523.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one with MolForge

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Related Compounds

7-chloro-3-(3,5-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-4-[2-[(2S)-piperidin-2-yl]ethoxy]quinoline;3-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]benzamide
CID 87722341
N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-methyl-1,6-naphthyridine-8-carboxamide;N-[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-3,5-dimethylpyrazine-2-carboxamide
CID 157741832
[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;(2-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(4-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;[3-(dimethylamino)phenyl]-(1-propylpiperidin-3-yl)methanone;(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone;(3-phenylmethoxyphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 158359107
8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one
CID 158705040
8-chloro-2-phenyl-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one
CID 160567069
[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;(2-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(4-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;[3-(dimethylamino)phenyl]-(1-propylpiperidin-3-yl)methanone;(1-ethylpiperidin-3-yl)-(6-methoxynaphthalen-2-yl)methanone;(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone;(3-phenylmethoxyphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 161018835
8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5,6-dimethyl-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one
CID 161545529
N-[(4-chloro-2-methoxyphenyl)-(4-chlorophenyl)methyl]-3-[4-(4-quinolin-5-yltriazol-1-yl)piperidine-1-carbonyl]benzamide
CID 166354520

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one?
The IUPAC name of 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one (CID 160779714) is 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one.
What is the SMILES notation for 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one?
The canonical SMILES for 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one is COc1ccc(-c2cccc3cc([C@H](C)Cc4nccc5cccnc45)n(-c4ccccc4)c(=O)c23)cn1.C[C@H](Nc1ccnc2cccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnc2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1cccc(-n2c([C@H](C)Nc3ccnc4cccnc34)cc3cccc(Cl)c3c2=O)c1.
What is the InChIKey of 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one?
The InChIKey is SAKIPHLNIHWRDD-JWKMYSCQSA-N. The full InChI is InChI=1S/C32H26N4O2.C29H24N6O.C26H21ClN4O.C25H19ClN4O/c1-21(18-27-31-22(15-17-33-27)9-7-16-34-31)28-19-23-8-6-12-26(24-13-14-29(38-2)35-20-24)30(23)32(37)36(28)25-10-4-3-5-11-25;1-19(33-25-13-15-30-24-12-7-14-31-28(24)25)26-16-20-8-6-11-23(21-17-32-34(2)18-21)27(20)29(36)35(26)22-9-4-3-5-10-22;1-16-6-3-8-19(14-16)31-23(15-18-7-4-9-20(27)24(18)26(31)32)17(2)30-22-11-13-28-21-10-5-12-29-25(21)22;1-16(29-21-12-14-27-20-11-6-13-28-24(20)21)22-15-17-7-5-10-19(26)23(17)25(31)30(22)18-8-3-2-4-9-18/h3-17,19-21H,18H2,1-2H3;3-19H,1-2H3,(H,30,33);3-15,17H,1-2H3,(H,28,30);2-16H,1H3,(H,27,29)/t21-;19-;17-;16-/m1000/s1.
What are the key properties of 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one?
8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one has a molecular weight of 1838.98 g/mol, XLogP of 23.69, 19 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1,5-naphthyridin-4-ylamino)ethyl]-2-phenylisoquinolin-1-one is sourced from PubChem (CID 160779714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).