7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one

C13H12ClNO2 — CID 106470873

IUPAC7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one
SMILESCc1c(Cl)ccc2c(=O)c3c([nH]c12)CCOC3
InChIInChI=1S/C13H12ClNO2/c1-7-10(14)3-2-8-12(7)15-11-4-5-17-6-9(11)13(8)16/h2-3H,4-6H2,1H3,(H,15,16)
InChIKeyPQAMTIUYWUINKX-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.56
Rot. Bonds

About 7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one

7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one (PubChem CID 106470873) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one.

Molecular Properties

Compound Name7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one
PubChem CID106470873
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one
SMILESCc1c(Cl)ccc2c(=O)c3c([nH]c12)CCOC3
InChIInChI=1S/C13H12ClNO2/c1-7-10(14)3-2-8-12(7)15-11-4-5-17-6-9(11)13(8)16/h2-3H,4-6H2,1H3,(H,15,16)
InChIKeyPQAMTIUYWUINKX-UHFFFAOYSA-N
XLogP2.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one?
The IUPAC name of 7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one (CID 106470873) is 7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one.
What is the SMILES notation for 7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one?
The canonical SMILES for 7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one is Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCOC3.
What is the InChIKey of 7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one?
The InChIKey is PQAMTIUYWUINKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-7-10(14)3-2-8-12(7)15-11-4-5-17-6-9(11)13(8)16/h2-3H,4-6H2,1H3,(H,15,16).
What are the key properties of 7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one?
7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one has a molecular weight of 249.70 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one is sourced from PubChem (CID 106470873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).