N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide

C27H25N3O2 — CID 8964759

IUPACN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C27H25N3O2/c1-18-8-12-20(13-9-18)25-16-23(22-6-4-5-7-24(22)29-25)27(32)30(3)17-19-10-14-21(15-11-19)26(31)28-2/h4-16H,17H2,1-3H3,(H,28,31)
InChIKeyMZYVNYMVEYPYPA-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.84
Rot. Bonds5

About N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 8964759) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID8964759
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C27H25N3O2/c1-18-8-12-20(13-9-18)25-16-23(22-6-4-5-7-24(22)29-25)27(32)30(3)17-19-10-14-21(15-11-19)26(31)28-2/h4-16H,17H2,1-3H3,(H,28,31)
InChIKeyMZYVNYMVEYPYPA-UHFFFAOYSA-N
XLogP4.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide
CID 24516597
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
N,4-dimethyl-N-[[4-[[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]carbamoyl]phenyl]methyl]benzenesulfonamide
CID 2432161
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 39858915
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide
CID 140502967

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide (CID 8964759) is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is MZYVNYMVEYPYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-18-8-12-20(13-9-18)25-16-23(22-6-4-5-7-24(22)29-25)27(32)30(3)17-19-10-14-21(15-11-19)26(31)28-2/h4-16H,17H2,1-3H3,(H,28,31).
What are the key properties of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 8964759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).