4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide

C16H15N3OS — CID 63375047

IUPAC4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N)c3ccccc3n2)s1
InChIInChI=1S/C16H15N3OS/c1-10-6-7-11(21-10)9-18-16(20)15-8-13(17)12-4-2-3-5-14(12)19-15/h2-8H,9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyXVWBBGNEESLKRD-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.12
Rot. Bonds3

About 4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide

4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide (PubChem CID 63375047) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
PubChem CID63375047
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N)c3ccccc3n2)s1
InChIInChI=1S/C16H15N3OS/c1-10-6-7-11(21-10)9-18-16(20)15-8-13(17)12-4-2-3-5-14(12)19-15/h2-8H,9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyXVWBBGNEESLKRD-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide
CID 63375237
4-amino-N-(furan-3-ylmethyl)quinoline-2-carboxamide
CID 115751963
4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
CID 63375458
4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
CID 106384946
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55794770
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide
CID 115751996
N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 47381407
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide (CID 63375047) is 4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide is Cc1ccc(CNC(=O)c2cc(N)c3ccccc3n2)s1.
What is the InChIKey of 4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide?
The InChIKey is XVWBBGNEESLKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-6-7-11(21-10)9-18-16(20)15-8-13(17)12-4-2-3-5-14(12)19-15/h2-8H,9H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide?
4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 63375047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).