(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone

C14H13ClN2OS — CID 80644164

IUPAC(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone
SMILESNc1ccc2c(c1)CCCN2C(=O)c1sccc1Cl
InChIInChI=1S/C14H13ClN2OS/c15-11-5-7-19-13(11)14(18)17-6-1-2-9-8-10(16)3-4-12(9)17/h3-5,7-8H,1-2,6,16H2
InChIKeyFUXFNTBNQBNRGN-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.58
Rot. Bonds1

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

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 80644164) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone
PubChem CID80644164
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone
SMILESNc1ccc2c(c1)CCCN2C(=O)c1sccc1Cl
InChIInChI=1S/C14H13ClN2OS/c15-11-5-7-19-13(11)14(18)17-6-1-2-9-8-10(16)3-4-12(9)17/h3-5,7-8H,1-2,6,16H2
InChIKeyFUXFNTBNQBNRGN-UHFFFAOYSA-N
XLogP3.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66462390
(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325451
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 28707202
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107670570
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809490
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone
CID 81110443
(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62056525
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79976034
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-benzofuran-2-yl)methanone
CID 43823655
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55522961
6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785718

Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone (CID 80644164) is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone is Nc1ccc2c(c1)CCCN2C(=O)c1sccc1Cl.
What is the InChIKey of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is FUXFNTBNQBNRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-11-5-7-19-13(11)14(18)17-6-1-2-9-8-10(16)3-4-12(9)17/h3-5,7-8H,1-2,6,16H2.
What are the key properties of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone?
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 292.79 g/mol, XLogP of 3.58, 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)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 80644164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).