N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide

C17H12Cl2N2O — CID 2707271

IUPACN-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc2ccccc2n1
InChIInChI=1S/C17H12Cl2N2O/c18-13-7-5-12(14(19)9-13)10-20-17(22)16-8-6-11-3-1-2-4-15(11)21-16/h1-9H,10H2,(H,20,22)
InChIKeyWFTBRCJHBAHAGA-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.47
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide

N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide (PubChem CID 2707271) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
PubChem CID2707271
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc2ccccc2n1
InChIInChI=1S/C17H12Cl2N2O/c18-13-7-5-12(14(19)9-13)10-20-17(22)16-8-6-11-3-1-2-4-15(11)21-16/h1-9H,10H2,(H,20,22)
InChIKeyWFTBRCJHBAHAGA-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
CID 41448498
N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide
CID 60535331
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
CID 29266373
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide (CID 2707271) is N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide?
The InChIKey is WFTBRCJHBAHAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-13-7-5-12(14(19)9-13)10-20-17(22)16-8-6-11-3-1-2-4-15(11)21-16/h1-9H,10H2,(H,20,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide?
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 2707271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).