3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one

C21H24N4O2 — CID 91781708

IUPAC3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one
SMILESCc1ccc2c(c1)c(=O)c(C(=O)N1CCC(Cn3ccnc3)CC1)cn2C
InChIInChI=1S/C21H24N4O2/c1-15-3-4-19-17(11-15)20(26)18(13-23(19)2)21(27)25-8-5-16(6-9-25)12-24-10-7-22-14-24/h3-4,7,10-11,13-14,16H,5-6,8-9,12H2,1-2H3
InChIKeyDSGDCQIWEWBQKV-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.60
Rot. Bonds3

About 3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one

3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one (PubChem CID 91781708) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one.

Molecular Properties

Compound Name3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one
PubChem CID91781708
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one
SMILESCc1ccc2c(c1)c(=O)c(C(=O)N1CCC(Cn3ccnc3)CC1)cn2C
InChIInChI=1S/C21H24N4O2/c1-15-3-4-19-17(11-15)20(26)18(13-23(19)2)21(27)25-8-5-16(6-9-25)12-24-10-7-22-14-24/h3-4,7,10-11,13-14,16H,5-6,8-9,12H2,1-2H3
InChIKeyDSGDCQIWEWBQKV-UHFFFAOYSA-N
XLogP2.60
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 52992527
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90493177
3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172660303
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one
CID 95548927
6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
CID 30133993
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90493140
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone
CID 167920387
4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine
CID 90493809
6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
CID 30133338

Frequently Asked Questions

What is the IUPAC name of 3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one?
The IUPAC name of 3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one (CID 91781708) is 3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one.
What is the SMILES notation for 3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one?
The canonical SMILES for 3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one is Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC(Cn3ccnc3)CC1)cn2C.
What is the InChIKey of 3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one?
The InChIKey is DSGDCQIWEWBQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-3-4-19-17(11-15)20(26)18(13-23(19)2)21(27)25-8-5-16(6-9-25)12-24-10-7-22-14-24/h3-4,7,10-11,13-14,16H,5-6,8-9,12H2,1-2H3.
What are the key properties of 3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one?
3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one is sourced from PubChem (CID 91781708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).