N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide

C19H15N3OS — CID 44533455

IUPACN-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cc(N)c2cc(NC(=O)c3cc4ccccc4s3)ccc2n1
InChIInChI=1S/C19H15N3OS/c1-11-8-15(20)14-10-13(6-7-16(14)21-11)22-19(23)18-9-12-4-2-3-5-17(12)24-18/h2-10H,1H3,(H2,20,21)(H,22,23)
InChIKeyWXZCRSSLCVIPPL-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.59
Rot. Bonds2

About N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide

N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide (PubChem CID 44533455) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide
PubChem CID44533455
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cc(N)c2cc(NC(=O)c3cc4ccccc4s3)ccc2n1
InChIInChI=1S/C19H15N3OS/c1-11-8-15(20)14-10-13(6-7-16(14)21-11)22-19(23)18-9-12-4-2-3-5-17(12)24-18/h2-10H,1H3,(H2,20,21)(H,22,23)
InChIKeyWXZCRSSLCVIPPL-UHFFFAOYSA-N
XLogP4.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide (CID 44533455) is N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide is Cc1cc(N)c2cc(NC(=O)c3cc4ccccc4s3)ccc2n1.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is WXZCRSSLCVIPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-11-8-15(20)14-10-13(6-7-16(14)21-11)22-19(23)18-9-12-4-2-3-5-17(12)24-18/h2-10H,1H3,(H2,20,21)(H,22,23).
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide?
N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 44533455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).