(6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone

C14H14N2OS — CID 16642529

IUPAC(6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
SMILESNc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C14H14N2OS/c15-11-5-6-12-10(9-11)3-1-7-16(12)14(17)13-4-2-8-18-13/h2,4-6,8-9H,1,3,7,15H2
InChIKeyXIMYGKBPDPDMOX-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.92
Rot. Bonds1

About (6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone (PubChem CID 16642529) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
PubChem CID16642529
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
SMILESNc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C14H14N2OS/c15-11-5-6-12-10(9-11)3-1-7-16(12)14(17)13-4-2-8-18-13/h2,4-6,8-9H,1,3,7,15H2
InChIKeyXIMYGKBPDPDMOX-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.92
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

Thiofuranylfentanyl
CID 137700027
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 658113
6-[(Thiophen-2-ylmethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648056
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(3,4-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 893048
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684

Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone (CID 16642529) is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone is Nc1ccc2c(c1)CCCN2C(=O)c1cccs1.
What is the InChIKey of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is XIMYGKBPDPDMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-11-5-6-12-10(9-11)3-1-7-16(12)14(17)13-4-2-8-18-13/h2,4-6,8-9H,1,3,7,15H2.
What are the key properties of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 258.35 g/mol, XLogP of 2.92, 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)-thiophen-2-ylmethanone is sourced from PubChem (CID 16642529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).