N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide

C20H22N2O3 — CID 1453682

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C20H22N2O3/c1-4-18(23)22(12-17-6-5-9-25-17)11-16-10-15-8-7-13(2)14(3)19(15)21-20(16)24/h5-10H,4,11-12H2,1-3H3,(H,21,24)
InChIKeyBRHUMXNBSNVIPR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.68
Rot. Bonds5

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 1453682) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide
PubChem CID1453682
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C20H22N2O3/c1-4-18(23)22(12-17-6-5-9-25-17)11-16-10-15-8-7-13(2)14(3)19(15)21-20(16)24/h5-10H,4,11-12H2,1-3H3,(H,21,24)
InChIKeyBRHUMXNBSNVIPR-UHFFFAOYSA-N
XLogP3.68
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)thiourea
CID 3171360
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide
CID 1453705
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
CID 652316
1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1459288
1-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea
CID 1175164
(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)azanium
CID 7447347
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3193973
N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 855783
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 3193953
3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1463983
N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1077928
3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3199966

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide (CID 1453682) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide is CCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is BRHUMXNBSNVIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-18(23)22(12-17-6-5-9-25-17)11-16-10-15-8-7-13(2)14(3)19(15)21-20(16)24/h5-10H,4,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 1453682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).