2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide

C14H14N2O3S — CID 146154924

IUPAC2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C14H14N2O3S/c1-20(18,19)16-14(17)11-8-13(9-6-7-9)15-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyCYSKBQPJEVJMJY-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.80
Rot. Bonds3

About 2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide

2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide (PubChem CID 146154924) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
PubChem CID146154924
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C14H14N2O3S/c1-20(18,19)16-14(17)11-8-13(9-6-7-9)15-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyCYSKBQPJEVJMJY-UHFFFAOYSA-N
XLogP1.80
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide
CID 112796017
N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
CID 95310623
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide (CID 146154924) is 2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide?
The InChIKey is CYSKBQPJEVJMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-20(18,19)16-14(17)11-8-13(9-6-7-9)15-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide?
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide is sourced from PubChem (CID 146154924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).