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

C25H18ClN3OS — CID 137438168

IUPAC6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)cc(C4CC4)c3cc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C25H18ClN3OS/c1-13-4-7-21(31-13)24-18(16-9-15-3-2-8-27-23(15)20(26)10-16)11-19-17(14-5-6-14)12-22(30)28-25(19)29-24/h2-4,7-12,14H,5-6H2,1H3,(H,28,29,30)
InChIKeyFVXYXXBIMQPGTK-UHFFFAOYSA-N
MW443.96 g/mol
LogP6.71
Rot. Bonds3

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

6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438168) has the molecular formula C25H18ClN3OS and a molecular weight of 443.96 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one
PubChem CID137438168
Molecular FormulaC25H18ClN3OS
Molecular Weight443.96 g/mol
Exact Mass443.09
IUPAC Name6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)cc(C4CC4)c3cc2-c2cc(Cl)c3ncccc3c2)s1
InChIInChI=1S/C25H18ClN3OS/c1-13-4-7-21(31-13)24-18(16-9-15-3-2-8-27-23(15)20(26)10-16)11-19-17(14-5-6-14)12-22(30)28-25(19)29-24/h2-4,7-12,14H,5-6H2,1H3,(H,28,29,30)
InChIKeyFVXYXXBIMQPGTK-UHFFFAOYSA-N
XLogP6.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.96
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one (CID 137438168) is 6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one is Cc1ccc(-c2nc3[nH]c(=O)cc(C4CC4)c3cc2-c2cc(Cl)c3ncccc3c2)s1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one?
The InChIKey is FVXYXXBIMQPGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3OS/c1-13-4-7-21(31-13)24-18(16-9-15-3-2-8-27-23(15)20(26)10-16)11-19-17(14-5-6-14)12-22(30)28-25(19)29-24/h2-4,7-12,14H,5-6H2,1H3,(H,28,29,30).
What are the key properties of 6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one?
6-(8-chloroquinolin-6-yl)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one has a molecular weight of 443.96 g/mol, XLogP of 6.71, 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)-4-cyclopropyl-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).