6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one

C27H21ClN4O — CID 137438550

IUPAC6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCN1CC(c2c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc3[nH]ccc(=O)c23)C1
InChIInChI=1S/C27H21ClN4O/c1-32-14-19(15-32)22-23(18-12-17-8-5-10-29-25(17)20(28)13-18)26(16-6-3-2-4-7-16)31-27-24(22)21(33)9-11-30-27/h2-13,19H,14-15H2,1H3,(H,30,31,33)
InChIKeyHEBCEJCTHLRTEO-UHFFFAOYSA-N
MW452.95 g/mol
LogP5.49
Rot. Bonds3

About 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one

6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438550) has the molecular formula C27H21ClN4O and a molecular weight of 452.95 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438550
Molecular FormulaC27H21ClN4O
Molecular Weight452.95 g/mol
Exact Mass452.14
IUPAC Name6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCN1CC(c2c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc3[nH]ccc(=O)c23)C1
InChIInChI=1S/C27H21ClN4O/c1-32-14-19(15-32)22-23(18-12-17-8-5-10-29-25(17)20(28)13-18)26(16-6-3-2-4-7-16)31-27-24(22)21(33)9-11-30-27/h2-13,19H,14-15H2,1H3,(H,30,31,33)
InChIKeyHEBCEJCTHLRTEO-UHFFFAOYSA-N
XLogP5.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.95
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(8-chloroquinolin-6-yl)-N-methyl-5-oxo-2-phenyl-8H-1,8-naphthyridine-4-carboxamide
CID 137438905
6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
CID 137438341
6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137439010
2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656384
6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438658
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-(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
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 137431006
6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137438550) is 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one is CN1CC(c2c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc3[nH]ccc(=O)c23)C1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is HEBCEJCTHLRTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O/c1-32-14-19(15-32)22-23(18-12-17-8-5-10-29-25(17)20(28)13-18)26(16-6-3-2-4-7-16)31-27-24(22)21(33)9-11-30-27/h2-13,19H,14-15H2,1H3,(H,30,31,33).
What are the key properties of 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 452.95 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).