2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile

C25H15ClN4O — CID 137438615

IUPAC2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
SMILESN#CCc1cc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C25H15ClN4O/c26-21-14-18(11-16-7-4-10-28-23(16)21)20-13-19-12-17(8-9-27)25(31)30-24(19)29-22(20)15-5-2-1-3-6-15/h1-7,10-14H,8H2,(H,29,30,31)
InChIKeyHOLXKFXNQVKAHT-UHFFFAOYSA-N
MW422.88 g/mol
LogP5.52
Rot. Bonds3

About 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile

2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile (PubChem CID 137438615) has the molecular formula C25H15ClN4O and a molecular weight of 422.88 g/mol. Its IUPAC name is 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
PubChem CID137438615
Molecular FormulaC25H15ClN4O
Molecular Weight422.88 g/mol
Exact Mass422.09
IUPAC Name2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
SMILESN#CCc1cc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C25H15ClN4O/c26-21-14-18(11-16-7-4-10-28-23(16)21)20-13-19-12-17(8-9-27)25(31)30-24(19)29-22(20)15-5-2-1-3-6-15/h1-7,10-14H,8H2,(H,29,30,31)
InChIKeyHOLXKFXNQVKAHT-UHFFFAOYSA-N
XLogP5.52
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.88
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile with MolForge

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Related Compounds

3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 161103358
N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
CID 137439050
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)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate
CID 137438648
N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide
CID 158903317
6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137439010
6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656614
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438503
4-[2-[6-(8-chloroquinolin-6-yl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-2-oxoethyl]sulfinylbenzonitrile
CID 158425052

Frequently Asked Questions

What is the IUPAC name of 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile?
The IUPAC name of 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile (CID 137438615) is 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile is N#CCc1cc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O.
What is the InChIKey of 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile?
The InChIKey is HOLXKFXNQVKAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClN4O/c26-21-14-18(11-16-7-4-10-28-23(16)21)20-13-19-12-17(8-9-27)25(31)30-24(19)29-22(20)15-5-2-1-3-6-15/h1-7,10-14H,8H2,(H,29,30,31).
What are the key properties of 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile?
2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile has a molecular weight of 422.88 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile is sourced from PubChem (CID 137438615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).