6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide

C25H21N3O3 — CID 78887491

IUPAC6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3C)ccc2c1
InChIInChI=1S/C25H21N3O3/c1-16-8-9-18(24(29)26-19-6-4-3-5-7-19)15-23(16)28-25(30)22-12-10-17-14-20(31-2)11-13-21(17)27-22/h3-15H,1-2H3,(H,26,29)(H,28,30)
InChIKeyAEMNKZNXJGXFDJ-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.06
Rot. Bonds5

About 6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide

6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide (PubChem CID 78887491) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide
PubChem CID78887491
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3C)ccc2c1
InChIInChI=1S/C25H21N3O3/c1-16-8-9-18(24(29)26-19-6-4-3-5-7-19)15-23(16)28-25(30)22-12-10-17-14-20(31-2)11-13-21(17)27-22/h3-15H,1-2H3,(H,26,29)(H,28,30)
InChIKeyAEMNKZNXJGXFDJ-UHFFFAOYSA-N
XLogP5.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-6-methoxyquinoline-2-carboxamide
CID 18131971
N-[3-(ethylcarbamoyl)phenyl]-6-methoxyquinoline-2-carboxamide
CID 17410272
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453
N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
CID 24601678
N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33316078
N-(5-chloro-2-methoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314112
N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide
CID 33314527
N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 87001470
2-N-(2,5-dimethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090853
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
CID 55674446

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of 6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide (CID 78887491) is 6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3C)ccc2c1.
What is the InChIKey of 6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide?
The InChIKey is AEMNKZNXJGXFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-16-8-9-18(24(29)26-19-6-4-3-5-7-19)15-23(16)28-25(30)22-12-10-17-14-20(31-2)11-13-21(17)27-22/h3-15H,1-2H3,(H,26,29)(H,28,30).
What are the key properties of 6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide?
6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 78887491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).