N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide

C23H25N3O2 — CID 24516597

IUPACN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C23H25N3O2/c1-15(2)21-13-19(18-7-5-6-8-20(18)25-21)23(28)26(4)14-16-9-11-17(12-10-16)22(27)24-3/h5-13,15H,14H2,1-4H3,(H,24,27)
InChIKeyLJUGNIQENZBLPT-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.99
Rot. Bonds5

About N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 24516597) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide
PubChem CID24516597
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C23H25N3O2/c1-15(2)21-13-19(18-7-5-6-8-20(18)25-21)23(28)26(4)14-16-9-11-17(12-10-16)22(27)24-3/h5-13,15H,14H2,1-4H3,(H,24,27)
InChIKeyLJUGNIQENZBLPT-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 8964759
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-propan-2-ylquinoline-4-carboxamide
CID 18209165
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-propan-2-ylquinoline-4-carboxamide
CID 18132158
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891
N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
CID 78871682
N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide
CID 26996817

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide (CID 24516597) is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)nc3ccccc23)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is LJUGNIQENZBLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)21-13-19(18-7-5-6-8-20(18)25-21)23(28)26(4)14-16-9-11-17(12-10-16)22(27)24-3/h5-13,15H,14H2,1-4H3,(H,24,27).
What are the key properties of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide?
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.99, 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-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 24516597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).