2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide

C21H15ClN2O2S — CID 18229256

IUPAC2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C21H15ClN2O2S/c22-20-11-10-19(27-20)18-12-16(15-8-4-5-9-17(15)23-18)21(25)24-26-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)
InChIKeyXHHAKPWGKLKNAW-UHFFFAOYSA-N
MW394.88 g/mol
LogP5.48
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide (PubChem CID 18229256) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide
PubChem CID18229256
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC Name2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C21H15ClN2O2S/c22-20-11-10-19(27-20)18-12-16(15-8-4-5-9-17(15)23-18)21(25)24-26-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)
InChIKeyXHHAKPWGKLKNAW-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-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

2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
CID 4155187
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
(3-cyanophenyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 7856372
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1010569
2-(5-chlorothiophen-2-yl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]quinoline-4-carboxamide
CID 22110368
2-(5-chlorothiophen-2-yl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4152465
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796
2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
CID 41450667
2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4183460

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide (CID 18229256) is 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide is O=C(NOCc1ccccc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide?
The InChIKey is XHHAKPWGKLKNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c22-20-11-10-19(27-20)18-12-16(15-8-4-5-9-17(15)23-18)21(25)24-26-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide is sourced from PubChem (CID 18229256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).