N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide

C22H18N2OS — CID 58388064

IUPACN-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(Cc2ccccc2)s1)c1ccc2ncccc2c1
InChIInChI=1S/C22H18N2OS/c25-22(18-8-11-21-17(14-18)7-4-12-23-21)24-15-20-10-9-19(26-20)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,24,25)
InChIKeyZKMSZMLLMMKGPC-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.82
Rot. Bonds5

About N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide

N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide (PubChem CID 58388064) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide
PubChem CID58388064
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(Cc2ccccc2)s1)c1ccc2ncccc2c1
InChIInChI=1S/C22H18N2OS/c25-22(18-8-11-21-17(14-18)7-4-12-23-21)24-15-20-10-9-19(26-20)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,24,25)
InChIKeyZKMSZMLLMMKGPC-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide
CID 58387932
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide (CID 58388064) is N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide is O=C(NCc1ccc(Cc2ccccc2)s1)c1ccc2ncccc2c1.
What is the InChIKey of N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide?
The InChIKey is ZKMSZMLLMMKGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c25-22(18-8-11-21-17(14-18)7-4-12-23-21)24-15-20-10-9-19(26-20)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,24,25).
What are the key properties of N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide?
N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 58388064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).