N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide

C18H15ClN2O3 — CID 78813029

IUPACN-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc3ccccc23)c(OC)cc1Cl
InChIInChI=1S/C18H15ClN2O3/c1-23-16-10-15(17(24-2)9-13(16)19)21-18(22)12-7-8-20-14-6-4-3-5-11(12)14/h3-10H,1-2H3,(H,21,22)
InChIKeyDRKOTSJFXFNWAA-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.16
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 78813029) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID78813029
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc3ccccc23)c(OC)cc1Cl
InChIInChI=1S/C18H15ClN2O3/c1-23-16-10-15(17(24-2)9-13(16)19)21-18(22)12-7-8-20-14-6-4-3-5-11(12)14/h3-10H,1-2H3,(H,21,22)
InChIKeyDRKOTSJFXFNWAA-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-(5-chloro-2,4-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 26210631
N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide
CID 17433781
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 112795524
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
CID 78845060
N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 171686511
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide (CID 78813029) is N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide is COc1cc(NC(=O)c2ccnc3ccccc23)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is DRKOTSJFXFNWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-16-10-15(17(24-2)9-13(16)19)21-18(22)12-7-8-20-14-6-4-3-5-11(12)14/h3-10H,1-2H3,(H,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 78813029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).