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

C13H17N3O — CID 80560774

IUPAC6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESNC1CC(Nc2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C13H17N3O/c14-9-6-11(7-9)15-10-2-3-12-8(5-10)1-4-13(17)16-12/h2-3,5,9,11,15H,1,4,6-7,14H2,(H,16,17)
InChIKeyGREVENCAUBOCQU-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.47
Rot. Bonds2

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

6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 80560774) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID80560774
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESNC1CC(Nc2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C13H17N3O/c14-9-6-11(7-9)15-10-2-3-12-8(5-10)1-4-13(17)16-12/h2-3,5,9,11,15H,1,4,6-7,14H2,(H,16,17)
InChIKeyGREVENCAUBOCQU-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43737988
6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65083527
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
6-[(2,3-dimethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 64760457
6-[[5-(4-hydroxyphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 165437155
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
2-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119708958
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxolane-3-carboxamide
CID 66238418
6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 115119383
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 80560774) is 6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one is NC1CC(Nc2ccc3c(c2)CCC(=O)N3)C1.
What is the InChIKey of 6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GREVENCAUBOCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-9-6-11(7-9)15-10-2-3-12-8(5-10)1-4-13(17)16-12/h2-3,5,9,11,15H,1,4,6-7,14H2,(H,16,17).
What are the key properties of 6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 80560774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).