7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one

C19H16ClN3O2 — CID 171514458

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)[nH]c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C19H16ClN3O2/c1-23-16(9-11-3-6-13(25-2)7-4-11)22-17-18(23)14-8-5-12(20)10-15(14)21-19(17)24/h3-8,10H,9H2,1-2H3,(H,21,24)
InChIKeyDZRVEZOZEIFSEU-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.67
Rot. Bonds3

About 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one

7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one (PubChem CID 171514458) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one
PubChem CID171514458
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)[nH]c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C19H16ClN3O2/c1-23-16(9-11-3-6-13(25-2)7-4-11)22-17-18(23)14-8-5-12(20)10-15(14)21-19(17)24/h3-8,10H,9H2,1-2H3,(H,21,24)
InChIKeyDZRVEZOZEIFSEU-UHFFFAOYSA-N
XLogP3.67
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one (CID 171514458) is 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one is COc1ccc(Cc2nc3c(=O)[nH]c4cc(Cl)ccc4c3n2C)cc1.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one?
The InChIKey is DZRVEZOZEIFSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-23-16(9-11-3-6-13(25-2)7-4-11)22-17-18(23)14-8-5-12(20)10-15(14)21-19(17)24/h3-8,10H,9H2,1-2H3,(H,21,24).
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one?
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one has a molecular weight of 353.81 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).