7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one

C15H19N3O3 — CID 114547751

IUPAC7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1
InChIInChI=1S/C15H19N3O3/c1-9-2-4-11(6-9)16-13-8-12-10(3-5-15(19)17-12)7-14(13)18(20)21/h7-9,11,16H,2-6H2,1H3,(H,17,19)
InChIKeyOOEZEKSXEFAWCI-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.08
Rot. Bonds3

About 7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one

7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114547751) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID114547751
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1
InChIInChI=1S/C15H19N3O3/c1-9-2-4-11(6-9)16-13-8-12-10(3-5-15(19)17-12)7-14(13)18(20)21/h7-9,11,16H,2-6H2,1H3,(H,17,19)
InChIKeyOOEZEKSXEFAWCI-UHFFFAOYSA-N
XLogP3.08
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43427396
6-[(3-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43451837
6-(cyclohexylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43427172
7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 114543241
7-nitro-6-(oxolan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 80712590
2-[ethyl-[3-[(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]cyclobutyl]amino]acetic acid
CID 122062108
6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
CID 43451829
6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43451844
7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115765386
7-(hexylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585335
7-[(2-hydroxy-2-methylpropyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115618366
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one (CID 114547751) is 7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one is CC1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1.
What is the InChIKey of 7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OOEZEKSXEFAWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-2-4-11(6-9)16-13-8-12-10(3-5-15(19)17-12)7-14(13)18(20)21/h7-9,11,16H,2-6H2,1H3,(H,17,19).
What are the key properties of 7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114547751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).