6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one

C13H12N2OS — CID 82478582

IUPAC6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc(-c2ccc3c(c2)CCC(=O)N3)s1
InChIInChI=1S/C13H12N2OS/c14-12-5-4-11(17-12)9-1-3-10-8(7-9)2-6-13(16)15-10/h1,3-5,7H,2,6,14H2,(H,15,16)
InChIKeyWZHFNONIWQAASP-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.88
Rot. Bonds1

About 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one

6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82478582) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82478582
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc(-c2ccc3c(c2)CCC(=O)N3)s1
InChIInChI=1S/C13H12N2OS/c14-12-5-4-11(17-12)9-1-3-10-8(7-9)2-6-13(16)15-10/h1,3-5,7H,2,6,14H2,(H,15,16)
InChIKeyWZHFNONIWQAASP-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82483609
6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82293668
5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one
CID 90042193
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one
CID 90041635
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 18707173
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001469
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723

Frequently Asked Questions

What is the IUPAC name of 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one (CID 82478582) is 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one is Nc1ccc(-c2ccc3c(c2)CCC(=O)N3)s1.
What is the InChIKey of 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WZHFNONIWQAASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-12-5-4-11(17-12)9-1-3-10-8(7-9)2-6-13(16)15-10/h1,3-5,7H,2,6,14H2,(H,15,16).
What are the key properties of 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 244.32 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82478582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).