N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide

C20H17N3OS — CID 5204453

IUPACN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide
SMILESCc1ccc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2n1
InChIInChI=1S/C20H17N3OS/c1-12-6-7-13-8-9-14(10-17(13)22-12)19(24)23-20-16(11-21)15-4-2-3-5-18(15)25-20/h6-10H,2-5H2,1H3,(H,23,24)
InChIKeyCDDIGQVZZHITEQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.61
Rot. Bonds2

About N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide (PubChem CID 5204453) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide
PubChem CID5204453
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide
SMILESCc1ccc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2n1
InChIInChI=1S/C20H17N3OS/c1-12-6-7-13-8-9-14(10-17(13)22-12)19(24)23-20-16(11-21)15-4-2-3-5-18(15)25-20/h6-10H,2-5H2,1H3,(H,23,24)
InChIKeyCDDIGQVZZHITEQ-UHFFFAOYSA-N
XLogP4.61
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)naphthalene-2-carboxamide
CID 962559
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274886
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methylbenzamide
CID 903587
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 775351
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-fluorobenzamide
CID 674789
3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxybenzamide
CID 4511123
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474592
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methoxybenzamide
CID 962467
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879806

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide (CID 5204453) is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide is Cc1ccc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2n1.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide?
The InChIKey is CDDIGQVZZHITEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-12-6-7-13-8-9-14(10-17(13)22-12)19(24)23-20-16(11-21)15-4-2-3-5-18(15)25-20/h6-10H,2-5H2,1H3,(H,23,24).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide?
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide is sourced from PubChem (CID 5204453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).