6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one

C24H20ClNO3 — CID 118724946

IUPAC6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccc(COc4ccccc4)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C24H20ClNO3/c1-15-23(24(27)19-12-20(25)22(28-2)13-21(19)26-15)17-10-8-16(9-11-17)14-29-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyQGFNYRZZKUKCMD-UHFFFAOYSA-N
MW405.88 g/mol
LogP5.74
Rot. Bonds5

About 6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one

6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one (PubChem CID 118724946) has the molecular formula C24H20ClNO3 and a molecular weight of 405.88 g/mol. Its IUPAC name is 6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one
PubChem CID118724946
Molecular FormulaC24H20ClNO3
Molecular Weight405.88 g/mol
Exact Mass405.11
IUPAC Name6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccc(COc4ccccc4)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C24H20ClNO3/c1-15-23(24(27)19-12-20(25)22(28-2)13-21(19)26-15)17-10-8-16(9-11-17)14-29-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyQGFNYRZZKUKCMD-UHFFFAOYSA-N
XLogP5.74
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one?
The IUPAC name of 6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one (CID 118724946) is 6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one is COc1cc2[nH]c(C)c(-c3ccc(COc4ccccc4)cc3)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one?
The InChIKey is QGFNYRZZKUKCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3/c1-15-23(24(27)19-12-20(25)22(28-2)13-21(19)26-15)17-10-8-16(9-11-17)14-29-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,26,27).
What are the key properties of 6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one?
6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one has a molecular weight of 405.88 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 118724946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).