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

C25H21N3O4 — CID 1225718

IUPACN-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)c1
InChIInChI=1S/C25H21N3O4/c1-31-15-11-12-23(32-2)19(13-15)22-14-18(16-7-3-5-9-20(16)27-22)25(30)28-21-10-6-4-8-17(21)24(26)29/h3-14H,1-2H3,(H2,26,29)(H,28,30)
InChIKeyOKXODNDIHCQYNF-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.27
Rot. Bonds6

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

N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1225718) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID1225718
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)c1
InChIInChI=1S/C25H21N3O4/c1-31-15-11-12-23(32-2)19(13-15)22-14-18(16-7-3-5-9-20(16)27-22)25(30)28-21-10-6-4-8-17(21)24(26)29/h3-14H,1-2H3,(H2,26,29)(H,28,30)
InChIKeyOKXODNDIHCQYNF-UHFFFAOYSA-N
XLogP4.27
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 3504792
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292
2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873344
N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854
N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 997833
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
2-amino-N-(2-carbamoylphenyl)-5-methoxybenzamide
CID 60955502

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide (CID 1225718) is N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)c1.
What is the InChIKey of N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is OKXODNDIHCQYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-31-15-11-12-23(32-2)19(13-15)22-14-18(16-7-3-5-9-20(16)27-22)25(30)28-21-10-6-4-8-17(21)24(26)29/h3-14H,1-2H3,(H2,26,29)(H,28,30).
What are the key properties of N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1225718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).