[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone

C17H12ClNOS — CID 116785248

IUPAC[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(-c2ccc(Cl)c3cccnc23)s1)C1CC1
InChIInChI=1S/C17H12ClNOS/c18-13-6-5-12(16-11(13)2-1-9-19-16)14-7-8-15(21-14)17(20)10-3-4-10/h1-2,5-10H,3-4H2
InChIKeyXCGFCFGBZWCAQQ-UHFFFAOYSA-N
MW313.81 g/mol
LogP5.21
Rot. Bonds3

About [5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone

[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 116785248) has the molecular formula C17H12ClNOS and a molecular weight of 313.81 g/mol. Its IUPAC name is [5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone
PubChem CID116785248
Molecular FormulaC17H12ClNOS
Molecular Weight313.81 g/mol
Exact Mass313.03
IUPAC Name[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(-c2ccc(Cl)c3cccnc23)s1)C1CC1
InChIInChI=1S/C17H12ClNOS/c18-13-6-5-12(16-11(13)2-1-9-19-16)14-7-8-15(21-14)17(20)10-3-4-10/h1-2,5-10H,3-4H2
InChIKeyXCGFCFGBZWCAQQ-UHFFFAOYSA-N
XLogP5.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.81
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine
CID 116785261
[5-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]-cyclopropylmethanone
CID 65475897
cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone
CID 43808672
5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
CID 116811986
cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
CID 43154038
1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 115960154
2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115959776
[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
CID 43331776
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid
CID 112618431
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide
CID 10155631

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone (CID 116785248) is [5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone is O=C(c1ccc(-c2ccc(Cl)c3cccnc23)s1)C1CC1.
What is the InChIKey of [5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is XCGFCFGBZWCAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNOS/c18-13-6-5-12(16-11(13)2-1-9-19-16)14-7-8-15(21-14)17(20)10-3-4-10/h1-2,5-10H,3-4H2.
What are the key properties of [5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone?
[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 313.81 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 116785248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).