7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one

C14H19N3OS — CID 80584888

IUPAC7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NCC1CCCS1)CCC(=O)N2
InChIInChI=1S/C14H19N3OS/c15-11-7-12-9(3-4-14(18)17-12)6-13(11)16-8-10-2-1-5-19-10/h6-7,10,16H,1-5,8,15H2,(H,17,18)
InChIKeyLBHSEJOPBKYZPM-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.46
Rot. Bonds3

About 7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 80584888) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID80584888
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NCC1CCCS1)CCC(=O)N2
InChIInChI=1S/C14H19N3OS/c15-11-7-12-9(3-4-14(18)17-12)6-13(11)16-8-10-2-1-5-19-10/h6-7,10,16H,1-5,8,15H2,(H,17,18)
InChIKeyLBHSEJOPBKYZPM-UHFFFAOYSA-N
XLogP2.46
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 60920159
6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455539
6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 107411249
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79861240
2-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567820
7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 81133979
7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65034025
7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43449799
7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 61466841
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
4-amino-3-(thiolan-2-ylmethylamino)benzamide
CID 80585007

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one (CID 80584888) is 7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1NCC1CCCS1)CCC(=O)N2.
What is the InChIKey of 7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LBHSEJOPBKYZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-11-7-12-9(3-4-14(18)17-12)6-13(11)16-8-10-2-1-5-19-10/h6-7,10,16H,1-5,8,15H2,(H,17,18).
What are the key properties of 7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 277.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 80584888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).