N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide

C16H11N3OS — CID 2525578

IUPACN-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2sccc2C#N)c2ccccc2n1
InChIInChI=1S/C16H11N3OS/c1-10-8-13(12-4-2-3-5-14(12)18-10)15(20)19-16-11(9-17)6-7-21-16/h2-8H,1H3,(H,19,20)
InChIKeySWOGMGDDJXLGMM-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.73
Rot. Bonds2

About N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide

N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide (PubChem CID 2525578) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
PubChem CID2525578
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC NameN-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2sccc2C#N)c2ccccc2n1
InChIInChI=1S/C16H11N3OS/c1-10-8-13(12-4-2-3-5-14(12)18-10)15(20)19-16-11(9-17)6-7-21-16/h2-8H,1H3,(H,19,20)
InChIKeySWOGMGDDJXLGMM-UHFFFAOYSA-N
XLogP3.73
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide (CID 2525578) is N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2sccc2C#N)c2ccccc2n1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is SWOGMGDDJXLGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c1-10-8-13(12-4-2-3-5-14(12)18-10)15(20)19-16-11(9-17)6-7-21-16/h2-8H,1H3,(H,19,20).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide?
N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2525578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).