1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde

C15H13N3O — CID 106716499

IUPAC1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde
SMILESCc1cc(Cn2cnc(C=O)c2)c2ccccc2n1
InChIInChI=1S/C15H13N3O/c1-11-6-12(7-18-8-13(9-19)16-10-18)14-4-2-3-5-15(14)17-11/h2-6,8-10H,7H2,1H3
InChIKeyQOKIXPCIPNVWTG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.60
Rot. Bonds3

About 1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde

1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde (PubChem CID 106716499) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde
PubChem CID106716499
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde
SMILESCc1cc(Cn2cnc(C=O)c2)c2ccccc2n1
InChIInChI=1S/C15H13N3O/c1-11-6-12(7-18-8-13(9-19)16-10-18)14-4-2-3-5-15(14)17-11/h2-6,8-10H,7H2,1H3
InChIKeyQOKIXPCIPNVWTG-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylquinolin-4-yl)methyl]triazole-4-carbaldehyde
CID 79240975
N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718858
1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone
CID 79240684
1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine
CID 79235165
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-methyl-4-[(2-methylimidazol-1-yl)methyl]quinoline
CID 78995513
1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde
CID 106716625
[1-[(2-methylquinolin-4-yl)methyl]pyrazol-4-yl]methanamine
CID 79241282
(2-methylquinolin-4-yl)methanethiol
CID 79885955
4-methylquinoline-2-carbaldehyde
CID 12735795
3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
CID 78994185
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylquinoline
CID 79032417

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde?
The IUPAC name of 1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde (CID 106716499) is 1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde?
The canonical SMILES for 1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde is Cc1cc(Cn2cnc(C=O)c2)c2ccccc2n1.
What is the InChIKey of 1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde?
The InChIKey is QOKIXPCIPNVWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-6-12(7-18-8-13(9-19)16-10-18)14-4-2-3-5-15(14)17-11/h2-6,8-10H,7H2,1H3.
What are the key properties of 1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde?
1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 106716499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).