6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one

C27H20ClN3O — CID 137438658

IUPAC6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(CC3CC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C27H20ClN3O/c28-22-15-19(14-18-7-4-12-29-25(18)22)24-21(13-16-8-9-16)20-10-11-23(32)30-27(20)31-26(24)17-5-2-1-3-6-17/h1-7,10-12,14-16H,8-9,13H2,(H,30,31,32)
InChIKeyKUQOXVBQUMGXBA-UHFFFAOYSA-N
MW437.93 g/mol
LogP6.41
Rot. Bonds4

About 6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one

6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one (PubChem CID 137438658) has the molecular formula C27H20ClN3O and a molecular weight of 437.93 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
PubChem CID137438658
Molecular FormulaC27H20ClN3O
Molecular Weight437.93 g/mol
Exact Mass437.13
IUPAC Name6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(CC3CC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C27H20ClN3O/c28-22-15-19(14-18-7-4-12-29-25(18)22)24-21(13-16-8-9-16)20-10-11-23(32)30-27(20)31-26(24)17-5-2-1-3-6-17/h1-7,10-12,14-16H,8-9,13H2,(H,30,31,32)
InChIKeyKUQOXVBQUMGXBA-UHFFFAOYSA-N
XLogP6.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(8-chloroquinolin-6-yl)-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438467
6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438503
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol
CID 137439046
2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656384
2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
CID 137438615
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438652
6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939
7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656614
6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438550

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one (CID 137438658) is 6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one is O=c1ccc2c(CC3CC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The InChIKey is KUQOXVBQUMGXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O/c28-22-15-19(14-18-7-4-12-29-25(18)22)24-21(13-16-8-9-16)20-10-11-23(32)30-27(20)31-26(24)17-5-2-1-3-6-17/h1-7,10-12,14-16H,8-9,13H2,(H,30,31,32).
What are the key properties of 6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one has a molecular weight of 437.93 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).