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

C14H17N3O3 — CID 115765386

IUPAC7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCC1(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCC1
InChIInChI=1S/C14H17N3O3/c1-14(5-2-6-14)16-11-8-10-9(3-4-13(18)15-10)7-12(11)17(19)20/h7-8,16H,2-6H2,1H3,(H,15,18)
InChIKeyDBDQXDHRSGLPNH-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.83
Rot. Bonds3

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

7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115765386) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID115765386
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCC1(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCC1
InChIInChI=1S/C14H17N3O3/c1-14(5-2-6-14)16-11-8-10-9(3-4-13(18)15-10)7-12(11)17(19)20/h7-8,16H,2-6H2,1H3,(H,15,18)
InChIKeyDBDQXDHRSGLPNH-UHFFFAOYSA-N
XLogP2.83
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.83
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'}

Analyze 7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
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
7-(but-3-en-2-ylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115691982
7-(3-methylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585332
7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 133496548
6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449821
7-(hexylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585335
7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 114547751
7-(4-methylsulfanylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115637374
6-(cyclohexylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43427172
(2S)-4-methyl-2-[(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]pentanoic acid
CID 120964539

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one (CID 115765386) is 7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one is CC1(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCC1.
What is the InChIKey of 7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DBDQXDHRSGLPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(5-2-6-14)16-11-8-10-9(3-4-13(18)15-10)7-12(11)17(19)20/h7-8,16H,2-6H2,1H3,(H,15,18).
What are the key properties of 7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 275.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115765386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).