6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one

C20H16ClN3O — CID 59596194

IUPAC6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2[nH]c1=O
InChIInChI=1S/C20H16ClN3O/c1-13-10-16-11-15(4-7-18(16)23-20(13)25)19(24-9-8-22-12-24)14-2-5-17(21)6-3-14/h2-12,19H,1H3,(H,23,25)
InChIKeyAYQXURCZCXQQJW-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.32
Rot. Bonds3

About 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one

6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one (PubChem CID 59596194) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one
PubChem CID59596194
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2[nH]c1=O
InChIInChI=1S/C20H16ClN3O/c1-13-10-16-11-15(4-7-18(16)23-20(13)25)19(24-9-8-22-12-24)14-2-5-17(21)6-3-14/h2-12,19H,1H3,(H,23,25)
InChIKeyAYQXURCZCXQQJW-UHFFFAOYSA-N
XLogP4.32
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one (CID 59596194) is 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one is Cc1cc2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2[nH]c1=O.
What is the InChIKey of 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one?
The InChIKey is AYQXURCZCXQQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-13-10-16-11-15(4-7-18(16)23-20(13)25)19(24-9-8-22-12-24)14-2-5-17(21)6-3-14/h2-12,19H,1H3,(H,23,25).
What are the key properties of 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one?
6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one has a molecular weight of 349.82 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 59596194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).