3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one

C25H28N4O — CID 26357464

IUPAC3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one
SMILESCc1ccc2c(c1)cc(CNCCCn1ccnc1)c(=O)n2Cc1ccccc1C
InChIInChI=1S/C25H28N4O/c1-19-8-9-24-22(14-19)15-23(16-26-10-5-12-28-13-11-27-18-28)25(30)29(24)17-21-7-4-3-6-20(21)2/h3-4,6-9,11,13-15,18,26H,5,10,12,16-17H2,1-2H3
InChIKeyDPHKUGUTLKYUAW-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.04
Rot. Bonds8

About 3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one

3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one (PubChem CID 26357464) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one
PubChem CID26357464
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one
SMILESCc1ccc2c(c1)cc(CNCCCn1ccnc1)c(=O)n2Cc1ccccc1C
InChIInChI=1S/C25H28N4O/c1-19-8-9-24-22(14-19)15-23(16-26-10-5-12-28-13-11-27-18-28)25(30)29(24)17-21-7-4-3-6-20(21)2/h3-4,6-9,11,13-15,18,26H,5,10,12,16-17H2,1-2H3
InChIKeyDPHKUGUTLKYUAW-UHFFFAOYSA-N
XLogP4.04
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-imidazol-1-yl-N-[(2-methylphenyl)methyl]propan-1-amine;oxalic acid
CID 17052939
5-[(3-fluorophenyl)methyl]-7-[(3-imidazol-1-ylpropylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 26340216
4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
CID 61069061
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 168665221
3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 42197487
(2S)-N-(3-imidazol-1-ylpropyl)-1-(2-methylphenyl)propan-2-amine
CID 97228959
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79578880
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 62122292

Frequently Asked Questions

What is the IUPAC name of 3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one?
The IUPAC name of 3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one (CID 26357464) is 3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one?
The canonical SMILES for 3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one is Cc1ccc2c(c1)cc(CNCCCn1ccnc1)c(=O)n2Cc1ccccc1C.
What is the InChIKey of 3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one?
The InChIKey is DPHKUGUTLKYUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-19-8-9-24-22(14-19)15-23(16-26-10-5-12-28-13-11-27-18-28)25(30)29(24)17-21-7-4-3-6-20(21)2/h3-4,6-9,11,13-15,18,26H,5,10,12,16-17H2,1-2H3.
What are the key properties of 3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one?
3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one has a molecular weight of 400.53 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 26357464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).