N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

C23H20N2O2 — CID 4195207

IUPACN-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)NCc3ccco3)c2C)cc1
InChIInChI=1S/C23H20N2O2/c1-15-9-11-17(12-10-15)22-16(2)21(19-7-3-4-8-20(19)25-22)23(26)24-14-18-6-5-13-27-18/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyYVWFZRAWOOYTQB-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.04
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 4195207) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID4195207
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)NCc3ccco3)c2C)cc1
InChIInChI=1S/C23H20N2O2/c1-15-9-11-17(12-10-15)22-16(2)21(19-7-3-4-8-20(19)25-22)23(26)24-14-18-6-5-13-27-18/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyYVWFZRAWOOYTQB-UHFFFAOYSA-N
XLogP5.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 16532309
N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4124250
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7027596
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 4101580
3-methyl-2-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185223
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4112030

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 4195207) is N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2nc3ccccc3c(C(=O)NCc3ccco3)c2C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is YVWFZRAWOOYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-9-11-17(12-10-15)22-16(2)21(19-7-3-4-8-20(19)25-22)23(26)24-14-18-6-5-13-27-18/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4195207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).