4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide

C19H12ClFN2OS — CID 46256044

IUPAC4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C19H12ClFN2OS/c20-18-14-9-16(19(24)22-10-11-5-7-12(21)8-6-11)25-17(14)13-3-1-2-4-15(13)23-18/h1-9H,10H2,(H,22,24)
InChIKeyAFBTZAVOODDPPS-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.17
Rot. Bonds3

About 4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256044) has the molecular formula C19H12ClFN2OS and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256044
Molecular FormulaC19H12ClFN2OS
Molecular Weight370.84 g/mol
Exact Mass370.03
IUPAC Name4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C19H12ClFN2OS/c20-18-14-9-16(19(24)22-10-11-5-7-12(21)8-6-11)25-17(14)13-3-1-2-4-15(13)23-18/h1-9H,10H2,(H,22,24)
InChIKeyAFBTZAVOODDPPS-UHFFFAOYSA-N
XLogP5.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide
CID 6622571
4-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 46256069
4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46256073
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 68824358
4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide
CID 46256118
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide
CID 22133034
N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857512
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009259
2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide
CID 110299117

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide (CID 46256044) is 4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc2c(Cl)nc3ccccc3c2s1.
What is the InChIKey of 4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is AFBTZAVOODDPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2OS/c20-18-14-9-16(19(24)22-10-11-5-7-12(21)8-6-11)25-17(14)13-3-1-2-4-15(13)23-18/h1-9H,10H2,(H,22,24).
What are the key properties of 4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).