(1-ethylimidazol-2-yl)-quinolin-6-ylmethanone

C15H13N3O — CID 62873887

IUPAC(1-ethylimidazol-2-yl)-quinolin-6-ylmethanone
SMILESCCn1ccnc1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H13N3O/c1-2-18-9-8-17-15(18)14(19)12-5-6-13-11(10-12)4-3-7-16-13/h3-10H,2H2,1H3
InChIKeyVDLSKAGFTQICIH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.68
Rot. Bonds3

About (1-ethylimidazol-2-yl)-quinolin-6-ylmethanone

(1-ethylimidazol-2-yl)-quinolin-6-ylmethanone (PubChem CID 62873887) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-quinolin-6-ylmethanone
PubChem CID62873887
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(1-ethylimidazol-2-yl)-quinolin-6-ylmethanone
SMILESCCn1ccnc1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H13N3O/c1-2-18-9-8-17-15(18)14(19)12-5-6-13-11(10-12)4-3-7-16-13/h3-10H,2H2,1H3
InChIKeyVDLSKAGFTQICIH-UHFFFAOYSA-N
XLogP2.68
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81285036
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
ethane;quinoline-6-carboxylic acid
CID 91364452
(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone
CID 105101200
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
CID 114329700
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
(1-ethylimidazol-2-yl)-(6-methyl-2-pyridinyl)methanone
CID 63977122
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
(1-methylimidazol-2-yl)-naphthalen-2-ylmethanone
CID 60660061
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-quinolin-6-ylmethanone?
The IUPAC name of (1-ethylimidazol-2-yl)-quinolin-6-ylmethanone (CID 62873887) is (1-ethylimidazol-2-yl)-quinolin-6-ylmethanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-quinolin-6-ylmethanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-quinolin-6-ylmethanone is CCn1ccnc1C(=O)c1ccc2ncccc2c1.
What is the InChIKey of (1-ethylimidazol-2-yl)-quinolin-6-ylmethanone?
The InChIKey is VDLSKAGFTQICIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-18-9-8-17-15(18)14(19)12-5-6-13-11(10-12)4-3-7-16-13/h3-10H,2H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-quinolin-6-ylmethanone?
(1-ethylimidazol-2-yl)-quinolin-6-ylmethanone has a molecular weight of 251.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-quinolin-6-ylmethanone is sourced from PubChem (CID 62873887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).