2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one

C19H16ClN3O — CID 51000500

IUPAC2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
SMILESCCCc1ccc2c(c1)[nH]c(=O)c1[nH]c(-c3ccccc3Cl)nc12
InChIInChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23)
InChIKeyITJZUXOTSQYHCL-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.68
Rot. Bonds3

About 2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one

2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one (PubChem CID 51000500) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
PubChem CID51000500
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
SMILESCCCc1ccc2c(c1)[nH]c(=O)c1[nH]c(-c3ccccc3Cl)nc12
InChIInChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23)
InChIKeyITJZUXOTSQYHCL-UHFFFAOYSA-N
XLogP4.68
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one (CID 51000500) is 2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one is CCCc1ccc2c(c1)[nH]c(=O)c1[nH]c(-c3ccccc3Cl)nc12.
What is the InChIKey of 2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one?
The InChIKey is ITJZUXOTSQYHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one?
2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one has a molecular weight of 337.81 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 51000500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).