4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one

C16H18N4O — CID 81243651

IUPAC4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one
SMILESCC(Cn1ccnc1)Nc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C16H18N4O/c1-12(10-20-8-7-17-11-20)18-14-9-16(21)19(2)15-6-4-3-5-13(14)15/h3-9,11-12,18H,10H2,1-2H3
InChIKeyHGIYSOWCLUVUIL-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.24
Rot. Bonds4

About 4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one

4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one (PubChem CID 81243651) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one
PubChem CID81243651
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one
SMILESCC(Cn1ccnc1)Nc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C16H18N4O/c1-12(10-20-8-7-17-11-20)18-14-9-16(21)19(2)15-6-4-3-5-13(14)15/h3-9,11-12,18H,10H2,1-2H3
InChIKeyHGIYSOWCLUVUIL-UHFFFAOYSA-N
XLogP2.24
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine
CID 63000923
2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 61482270
N-(1-imidazol-1-ylpropan-2-yl)-3-nitropyridin-4-amine
CID 54958624
3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline
CID 80896955
2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile
CID 63884271
N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-4-nitroaniline
CID 61482429
3-amino-4-(1-imidazol-1-ylpropan-2-ylamino)benzenesulfonamide
CID 61479680
1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one
CID 81244191
4-bromo-2-(1-imidazol-1-ylpropan-2-ylamino)benzonitrile
CID 114901585
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
1-methyl-4-(pent-3-ynylamino)quinolin-2-one
CID 116644399
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868

Frequently Asked Questions

What is the IUPAC name of 4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one?
The IUPAC name of 4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one (CID 81243651) is 4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one.
What is the SMILES notation for 4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one?
The canonical SMILES for 4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one is CC(Cn1ccnc1)Nc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one?
The InChIKey is HGIYSOWCLUVUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(10-20-8-7-17-11-20)18-14-9-16(21)19(2)15-6-4-3-5-13(14)15/h3-9,11-12,18H,10H2,1-2H3.
What are the key properties of 4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one?
4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one has a molecular weight of 282.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one is sourced from PubChem (CID 81243651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).