N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide

C16H15N3OS — CID 110869527

IUPACN-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide
SMILESCN(C(=O)CCc1cccs1)c1ccc2nccnc2c1
InChIInChI=1S/C16H15N3OS/c1-19(16(20)7-5-13-3-2-10-21-13)12-4-6-14-15(11-12)18-9-8-17-14/h2-4,6,8-11H,5,7H2,1H3
InChIKeyXMQYECKNTLHFEC-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.29
Rot. Bonds4

About N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide

N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide (PubChem CID 110869527) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide
PubChem CID110869527
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide
SMILESCN(C(=O)CCc1cccs1)c1ccc2nccnc2c1
InChIInChI=1S/C16H15N3OS/c1-19(16(20)7-5-13-3-2-10-21-13)12-4-6-14-15(11-12)18-9-8-17-14/h2-4,6,8-11H,5,7H2,1H3
InChIKeyXMQYECKNTLHFEC-UHFFFAOYSA-N
XLogP3.29
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide (CID 110869527) is N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide is CN(C(=O)CCc1cccs1)c1ccc2nccnc2c1.
What is the InChIKey of N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide?
The InChIKey is XMQYECKNTLHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-19(16(20)7-5-13-3-2-10-21-13)12-4-6-14-15(11-12)18-9-8-17-14/h2-4,6,8-11H,5,7H2,1H3.
What are the key properties of N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide?
N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide has a molecular weight of 297.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110869527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).