N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide

C18H16N2OS — CID 42659167

IUPACN-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cccs3)cc(C(=O)NC3CC3)c2c1
InChIInChI=1S/C18H16N2OS/c1-11-4-7-15-13(9-11)14(18(21)19-12-5-6-12)10-16(20-15)17-3-2-8-22-17/h2-4,7-10,12H,5-6H2,1H3,(H,19,21)
InChIKeyRJEPOUWSMYCCFC-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.16
Rot. Bonds3

About N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide

N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 42659167) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID42659167
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cccs3)cc(C(=O)NC3CC3)c2c1
InChIInChI=1S/C18H16N2OS/c1-11-4-7-15-13(9-11)14(18(21)19-12-5-6-12)10-16(20-15)17-3-2-8-22-17/h2-4,7-10,12H,5-6H2,1H3,(H,19,21)
InChIKeyRJEPOUWSMYCCFC-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 166257008
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55501818
6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide
CID 92769816
N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 42749913
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 25397691
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807522
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812752
ethyl 2-(1,3-dithian-2-ylidene)-2-(6-methyl-2-thiophen-2-ylquinolin-4-yl)acetate
CID 16732820

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 42659167) is N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3cccs3)cc(C(=O)NC3CC3)c2c1.
What is the InChIKey of N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is RJEPOUWSMYCCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-11-4-7-15-13(9-11)14(18(21)19-12-5-6-12)10-16(20-15)17-3-2-8-22-17/h2-4,7-10,12H,5-6H2,1H3,(H,19,21).
What are the key properties of N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 42659167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).