N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide

C21H15ClN2O2S — CID 58387932

IUPACN-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(Oc2cccc(Cl)c2)s1)c1ccc2ncccc2c1
InChIInChI=1S/C21H15ClN2O2S/c22-16-4-1-5-17(12-16)26-20-9-7-18(27-20)13-24-21(25)15-6-8-19-14(11-15)3-2-10-23-19/h1-12H,13H2,(H,24,25)
InChIKeyKXULJHAZYJKIOJ-UHFFFAOYSA-N
MW394.88 g/mol
LogP5.67
Rot. Bonds5

About N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide

N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide (PubChem CID 58387932) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide
PubChem CID58387932
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC NameN-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(Oc2cccc(Cl)c2)s1)c1ccc2ncccc2c1
InChIInChI=1S/C21H15ClN2O2S/c22-16-4-1-5-17(12-16)26-20-9-7-18(27-20)13-24-21(25)15-6-8-19-14(11-15)3-2-10-23-19/h1-12H,13H2,(H,24,25)
InChIKeyKXULJHAZYJKIOJ-UHFFFAOYSA-N
XLogP5.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide
CID 58388064
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192109
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-[(3-hept-5-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68732822
N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 59192104

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide (CID 58387932) is N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide is O=C(NCc1ccc(Oc2cccc(Cl)c2)s1)c1ccc2ncccc2c1.
What is the InChIKey of N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide?
The InChIKey is KXULJHAZYJKIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c22-16-4-1-5-17(12-16)26-20-9-7-18(27-20)13-24-21(25)15-6-8-19-14(11-15)3-2-10-23-19/h1-12H,13H2,(H,24,25).
What are the key properties of N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide?
N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 58387932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).