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

C22H24N2O3 — CID 3193953

IUPACN-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCc1ccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(=O)[nH]c2c1C
InChIInChI=1S/C22H24N2O3/c1-14-9-10-16-12-17(21(25)23-20(16)15(14)2)13-24(18-6-3-4-7-18)22(26)19-8-5-11-27-19/h5,8-12,18H,3-4,6-7,13H2,1-2H3,(H,23,25)
InChIKeyXASCSYSFOXSORL-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.32
Rot. Bonds4

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

N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (PubChem CID 3193953) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
PubChem CID3193953
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCc1ccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(=O)[nH]c2c1C
InChIInChI=1S/C22H24N2O3/c1-14-9-10-16-12-17(21(25)23-20(16)15(14)2)13-24(18-6-3-4-7-18)22(26)19-8-5-11-27-19/h5,8-12,18H,3-4,6-7,13H2,1-2H3,(H,23,25)
InChIKeyXASCSYSFOXSORL-UHFFFAOYSA-N
XLogP4.32
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 855783
1-cyclopentyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea
CID 862452
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3193973
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide
CID 1459732
1-cyclohexyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1175214
1-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea
CID 1175164
1-cyclopentyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea
CID 3171164
N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 769064
methyl 2-[[cyclohexyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate
CID 3174181
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide
CID 1453682
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 23821273
1-cyclopentyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 3171167

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (CID 3193953) is N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is Cc1ccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(=O)[nH]c2c1C.
What is the InChIKey of N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The InChIKey is XASCSYSFOXSORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-9-10-16-12-17(21(25)23-20(16)15(14)2)13-24(18-6-3-4-7-18)22(26)19-8-5-11-27-19/h5,8-12,18H,3-4,6-7,13H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3193953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).