N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide

C27H28N4O — CID 42796445

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide
SMILESCn1ccnc1CN(C(=O)c1ccc2ccccc2n1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H28N4O/c1-30-18-17-28-26(30)19-31(23-14-11-21(12-15-23)20-7-3-2-4-8-20)27(32)25-16-13-22-9-5-6-10-24(22)29-25/h2-10,13,16-18,21,23H,11-12,14-15,19H2,1H3
InChIKeyBXLCCYKQGKKHMR-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.34
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide (PubChem CID 42796445) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide
PubChem CID42796445
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide
SMILESCn1ccnc1CN(C(=O)c1ccc2ccccc2n1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H28N4O/c1-30-18-17-28-26(30)19-31(23-14-11-21(12-15-23)20-7-3-2-4-8-20)27(32)25-16-13-22-9-5-6-10-24(22)29-25/h2-10,13,16-18,21,23H,11-12,14-15,19H2,1H3
InChIKeyBXLCCYKQGKKHMR-UHFFFAOYSA-N
XLogP5.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220
6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
CID 61051446
2-[cyclopropyl(quinoline-2-carbonyl)amino]acetic acid
CID 60825209
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
CID 120535420
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 56741582
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide (CID 42796445) is N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide is Cn1ccnc1CN(C(=O)c1ccc2ccccc2n1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide?
The InChIKey is BXLCCYKQGKKHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-30-18-17-28-26(30)19-31(23-14-11-21(12-15-23)20-7-3-2-4-8-20)27(32)25-16-13-22-9-5-6-10-24(22)29-25/h2-10,13,16-18,21,23H,11-12,14-15,19H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 5.34, 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-(4-phenylcyclohexyl)quinoline-2-carboxamide is sourced from PubChem (CID 42796445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).