N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide

C19H22N4O — CID 42793535

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide
SMILESCC(C)CN(Cc1nccn1C)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C19H22N4O/c1-14(2)12-23(13-18-21-9-10-22(18)3)19(24)16-6-7-17-15(11-16)5-4-8-20-17/h4-11,14H,12-13H2,1-3H3
InChIKeyUMRNVTTYSVRMKG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.27
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide (PubChem CID 42793535) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide
PubChem CID42793535
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide
SMILESCC(C)CN(Cc1nccn1C)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C19H22N4O/c1-14(2)12-23(13-18-21-9-10-22(18)3)19(24)16-6-7-17-15(11-16)5-4-8-20-17/h4-11,14H,12-13H2,1-3H3
InChIKeyUMRNVTTYSVRMKG-UHFFFAOYSA-N
XLogP3.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 42793534
N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 91762656
N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42782261
3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732890
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 11426487
N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
CID 42784656
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42819298
N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide
CID 62875387
N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide
CID 142975144
N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
CID 76951107
N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 42782275
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide (CID 42793535) is N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide is CC(C)CN(Cc1nccn1C)C(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide?
The InChIKey is UMRNVTTYSVRMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14(2)12-23(13-18-21-9-10-22(18)3)19(24)16-6-7-17-15(11-16)5-4-8-20-17/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide is sourced from PubChem (CID 42793535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).