(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone

C15H15BrN2OS — CID 79976034

IUPAC(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)N2CCCc3cc(N)ccc32)sc1Br
InChIInChI=1S/C15H15BrN2OS/c1-9-7-13(20-14(9)16)15(19)18-6-2-3-10-8-11(17)4-5-12(10)18/h4-5,7-8H,2-3,6,17H2,1H3
InChIKeyMNSZQHGPHCGPSV-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.99
Rot. Bonds1

About (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone (PubChem CID 79976034) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
PubChem CID79976034
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)N2CCCc3cc(N)ccc32)sc1Br
InChIInChI=1S/C15H15BrN2OS/c1-9-7-13(20-14(9)16)15(19)18-6-2-3-10-8-11(17)4-5-12(10)18/h4-5,7-8H,2-3,6,17H2,1H3
InChIKeyMNSZQHGPHCGPSV-UHFFFAOYSA-N
XLogP3.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.99
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 (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone (CID 79976034) is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone is Cc1cc(C(=O)N2CCCc3cc(N)ccc32)sc1Br.
What is the InChIKey of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The InChIKey is MNSZQHGPHCGPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-9-7-13(20-14(9)16)15(19)18-6-2-3-10-8-11(17)4-5-12(10)18/h4-5,7-8H,2-3,6,17H2,1H3.
What are the key properties of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone has a molecular weight of 351.27 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79976034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).