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

C16H23N3O — CID 79861240

IUPAC7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1(C)CCCC1Nc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C16H23N3O/c1-16(2)7-3-4-14(16)18-13-8-10-5-6-15(20)19-12(10)9-11(13)17/h8-9,14,18H,3-7,17H2,1-2H3,(H,19,20)
InChIKeyGPSUBJAQMHJETP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.14
Rot. Bonds2

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

7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 79861240) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID79861240
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1(C)CCCC1Nc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C16H23N3O/c1-16(2)7-3-4-14(16)18-13-8-10-5-6-15(20)19-12(10)9-11(13)17/h8-9,14,18H,3-7,17H2,1-2H3,(H,19,20)
InChIKeyGPSUBJAQMHJETP-UHFFFAOYSA-N
XLogP3.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 114543241
7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 61466841
7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 55189494
6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63278188
7-amino-6-[(1,1-dioxothian-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63923886
6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 62360498
7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 60920159
7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 80584888
4-bromo-2-N-(2,2-dimethylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 116736105
6-amino-7-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 63360200
7-amino-6-(but-3-en-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 113480802
6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 106358997

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 79861240) is 7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one is CC1(C)CCCC1Nc1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GPSUBJAQMHJETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2)7-3-4-14(16)18-13-8-10-5-6-15(20)19-12(10)9-11(13)17/h8-9,14,18H,3-7,17H2,1-2H3,(H,19,20).
What are the key properties of 7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 79861240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).