N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide

C22H22N2O4 — CID 169419293

IUPACN-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide
SMILESO=C1CC(c2cccc3c2OCO3)c2ccc(NC(=O)C3CCCC3)cc2N1
InChIInChI=1S/C22H22N2O4/c25-20-11-17(16-6-3-7-19-21(16)28-12-27-19)15-9-8-14(10-18(15)24-20)23-22(26)13-4-1-2-5-13/h3,6-10,13,17H,1-2,4-5,11-12H2,(H,23,26)(H,24,25)
InChIKeyVNHHSHWINGFFKI-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.02
Rot. Bonds3

About N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide

N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide (PubChem CID 169419293) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide
PubChem CID169419293
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide
SMILESO=C1CC(c2cccc3c2OCO3)c2ccc(NC(=O)C3CCCC3)cc2N1
InChIInChI=1S/C22H22N2O4/c25-20-11-17(16-6-3-7-19-21(16)28-12-27-19)15-9-8-14(10-18(15)24-20)23-22(26)13-4-1-2-5-13/h3,6-10,13,17H,1-2,4-5,11-12H2,(H,23,26)(H,24,25)
InChIKeyVNHHSHWINGFFKI-UHFFFAOYSA-N
XLogP4.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-[4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide
CID 169413733
4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 50953624
N-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17488439
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)cyclobutanecarboxamide
CID 75361169
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
CID 17172079
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)cyclohexanecarboxamide
CID 110405857
(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
CID 59802652

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide (CID 169419293) is N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide is O=C1CC(c2cccc3c2OCO3)c2ccc(NC(=O)C3CCCC3)cc2N1.
What is the InChIKey of N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide?
The InChIKey is VNHHSHWINGFFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-20-11-17(16-6-3-7-19-21(16)28-12-27-19)15-9-8-14(10-18(15)24-20)23-22(26)13-4-1-2-5-13/h3,6-10,13,17H,1-2,4-5,11-12H2,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide?
N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide is sourced from PubChem (CID 169419293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).