6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide

C32H24ClN5O2 — CID 137438452

IUPAC6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1cccc(CCNC(=O)c2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)n1
InChIInChI=1S/C32H24ClN5O2/c1-19-7-5-11-24(36-19)12-14-35-31(39)26-17-23-16-25(22-15-21-10-6-13-34-29(21)27(33)18-22)28(20-8-3-2-4-9-20)37-30(23)38-32(26)40/h2-11,13,15-18H,12,14H2,1H3,(H,35,39)(H,37,38,40)
InChIKeyXFXWWMCUZYOTFW-UHFFFAOYSA-N
MW546.03 g/mol
LogP6.13
Rot. Bonds6

About 6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide

6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 137438452) has the molecular formula C32H24ClN5O2 and a molecular weight of 546.03 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide
PubChem CID137438452
Molecular FormulaC32H24ClN5O2
Molecular Weight546.03 g/mol
Exact Mass545.16
IUPAC Name6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1cccc(CCNC(=O)c2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)n1
InChIInChI=1S/C32H24ClN5O2/c1-19-7-5-11-24(36-19)12-14-35-31(39)26-17-23-16-25(22-15-21-10-6-13-34-29(21)27(33)18-22)28(20-8-3-2-4-9-20)37-30(23)38-32(26)40/h2-11,13,15-18H,12,14H2,1H3,(H,35,39)(H,37,38,40)
InChIKeyXFXWWMCUZYOTFW-UHFFFAOYSA-N
XLogP6.13
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.03
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide (CID 137438452) is 6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide is Cc1cccc(CCNC(=O)c2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)n1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is XFXWWMCUZYOTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24ClN5O2/c1-19-7-5-11-24(36-19)12-14-35-31(39)26-17-23-16-25(22-15-21-10-6-13-34-29(21)27(33)18-22)28(20-8-3-2-4-9-20)37-30(23)38-32(26)40/h2-11,13,15-18H,12,14H2,1H3,(H,35,39)(H,37,38,40).
What are the key properties of 6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 546.03 g/mol, XLogP of 6.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 137438452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).