N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide

C15H13N3OS — CID 104826414

IUPACN-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N)c3ncccc23)s1
InChIInChI=1S/C15H13N3OS/c1-9-4-7-13(20-9)15(19)18-12-6-5-11(16)14-10(12)3-2-8-17-14/h2-8H,16H2,1H3,(H,18,19)
InChIKeyXZIHBTNYKFZNCD-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.44
Rot. Bonds2

About N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide

N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide (PubChem CID 104826414) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
PubChem CID104826414
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N)c3ncccc23)s1
InChIInChI=1S/C15H13N3OS/c1-9-4-7-13(20-9)15(19)18-12-6-5-11(16)14-10(12)3-2-8-17-14/h2-8H,16H2,1H3,(H,18,19)
InChIKeyXZIHBTNYKFZNCD-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 104826457
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide
CID 104826570
N-(8-aminoquinolin-5-yl)-1H-pyrazole-5-carboxamide
CID 104826490
N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide
CID 104826398
N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 104826426
N-(3-amino-4-pyridinyl)-5-methylthiophene-2-carboxamide
CID 63062085
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992
N-(8-methylquinolin-5-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 122142260
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide
CID 79988116

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide (CID 104826414) is N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(N)c3ncccc23)s1.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is XZIHBTNYKFZNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-4-7-13(20-9)15(19)18-12-6-5-11(16)14-10(12)3-2-8-17-14/h2-8H,16H2,1H3,(H,18,19).
What are the key properties of N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide?
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 104826414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).