(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone

C15H20N2OS — CID 81456783

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)N2CCCc3ccc(N)cc32)CCCS1
InChIInChI=1S/C15H20N2OS/c1-15(7-3-9-19-15)14(18)17-8-2-4-11-5-6-12(16)10-13(11)17/h5-6,10H,2-4,7-9,16H2,1H3
InChIKeyYCMCZFULSVQFMC-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.83
Rot. Bonds1

About (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone (PubChem CID 81456783) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone
PubChem CID81456783
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)N2CCCc3ccc(N)cc32)CCCS1
InChIInChI=1S/C15H20N2OS/c1-15(7-3-9-19-15)14(18)17-8-2-4-11-5-6-12(16)10-13(11)17/h5-6,10H,2-4,7-9,16H2,1H3
InChIKeyYCMCZFULSVQFMC-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone (CID 81456783) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone is CC1(C(=O)N2CCCc3ccc(N)cc32)CCCS1.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone?
The InChIKey is YCMCZFULSVQFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(7-3-9-19-15)14(18)17-8-2-4-11-5-6-12(16)10-13(11)17/h5-6,10H,2-4,7-9,16H2,1H3.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone has a molecular weight of 276.40 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81456783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).