N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide

C17H16N2OS — CID 673634

IUPACN-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C17H16N2OS/c1-11(2)18-17(20)13-10-15(16-8-5-9-21-16)19-14-7-4-3-6-12(13)14/h3-11H,1-2H3,(H,18,20)
InChIKeyHJBPQLSEOWIJAV-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.10
Rot. Bonds3

About N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide

N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 673634) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID673634
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C17H16N2OS/c1-11(2)18-17(20)13-10-15(16-8-5-9-21-16)19-14-7-4-3-6-12(13)14/h3-11H,1-2H3,(H,18,20)
InChIKeyHJBPQLSEOWIJAV-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide (CID 673634) is N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide is CC(C)NC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is HJBPQLSEOWIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11(2)18-17(20)13-10-15(16-8-5-9-21-16)19-14-7-4-3-6-12(13)14/h3-11H,1-2H3,(H,18,20).
What are the key properties of N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide?
N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 673634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).