6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one

C27H17ClN4OS — CID 137438156

IUPAC6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4ccncc4)cc3cc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C27H17ClN4OS/c1-15-4-5-23(34-15)25-20(18-11-17-3-2-8-30-24(17)22(28)14-18)12-19-13-21(16-6-9-29-10-7-16)27(33)32-26(19)31-25/h2-14H,1H3,(H,31,32,33)
InChIKeyBHCLNSKBBBLZTJ-UHFFFAOYSA-N
MW480.98 g/mol
LogP6.89
Rot. Bonds3

About 6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one

6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one (PubChem CID 137438156) has the molecular formula C27H17ClN4OS and a molecular weight of 480.98 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one
PubChem CID137438156
Molecular FormulaC27H17ClN4OS
Molecular Weight480.98 g/mol
Exact Mass480.08
IUPAC Name6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4ccncc4)cc3cc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C27H17ClN4OS/c1-15-4-5-23(34-15)25-20(18-11-17-3-2-8-30-24(17)22(28)14-18)12-19-13-21(16-6-9-29-10-7-16)27(33)32-26(19)31-25/h2-14H,1H3,(H,31,32,33)
InChIKeyBHCLNSKBBBLZTJ-UHFFFAOYSA-N
XLogP6.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.98
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one (CID 137438156) is 6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one is Cc1ccc(-c2nc3[nH]c(=O)c(-c4ccncc4)cc3cc2-c2cc(Cl)c3ncccc3c2)s1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is BHCLNSKBBBLZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17ClN4OS/c1-15-4-5-23(34-15)25-20(18-11-17-3-2-8-30-24(17)22(28)14-18)12-19-13-21(16-6-9-29-10-7-16)27(33)32-26(19)31-25/h2-14H,1H3,(H,31,32,33).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one?
6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 480.98 g/mol, XLogP of 6.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-7-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).