2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide

C19H14Cl2N2O — CID 5209906

IUPAC2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C19H14Cl2N2O/c1-2-9-22-19(24)14-11-18(12-7-8-15(20)16(21)10-12)23-17-6-4-3-5-13(14)17/h2-8,10-11H,1,9H2,(H,22,24)
InChIKeyLSQGDLRTFDSKNV-UHFFFAOYSA-N
MW357.24 g/mol
LogP5.12
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide

2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide (PubChem CID 5209906) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide
PubChem CID5209906
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C19H14Cl2N2O/c1-2-9-22-19(24)14-11-18(12-7-8-15(20)16(21)10-12)23-17-6-4-3-5-13(14)17/h2-8,10-11H,1,9H2,(H,22,24)
InChIKeyLSQGDLRTFDSKNV-UHFFFAOYSA-N
XLogP5.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 4613486
1-[(2-phenylquinoline-4-carbonyl)amino]-3-prop-2-enylthiourea
CID 12938019
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
CID 3420064
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide (CID 5209906) is 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide is C=CCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide?
The InChIKey is LSQGDLRTFDSKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c1-2-9-22-19(24)14-11-18(12-7-8-15(20)16(21)10-12)23-17-6-4-3-5-13(14)17/h2-8,10-11H,1,9H2,(H,22,24).
What are the key properties of 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide?
2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide has a molecular weight of 357.24 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide is sourced from PubChem (CID 5209906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).