6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide

C25H23N3O2 — CID 166351303

IUPAC6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide
SMILESCc1ccccc1CNc1ccccc1NC(=O)c1cc2cc(O)ccc2nc1C
InChIInChI=1S/C25H23N3O2/c1-16-7-3-4-8-18(16)15-26-23-9-5-6-10-24(23)28-25(30)21-14-19-13-20(29)11-12-22(19)27-17(21)2/h3-14,26,29H,15H2,1-2H3,(H,28,30)
InChIKeyYBOHCLKBBRJNTB-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.42
Rot. Bonds5

About 6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide

6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide (PubChem CID 166351303) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide
PubChem CID166351303
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide
SMILESCc1ccccc1CNc1ccccc1NC(=O)c1cc2cc(O)ccc2nc1C
InChIInChI=1S/C25H23N3O2/c1-16-7-3-4-8-18(16)15-26-23-9-5-6-10-24(23)28-25(30)21-14-19-13-20(29)11-12-22(19)27-17(21)2/h3-14,26,29H,15H2,1-2H3,(H,28,30)
InChIKeyYBOHCLKBBRJNTB-UHFFFAOYSA-N
XLogP5.42
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
2-methyl-N-(2-methylphenyl)-1,6-naphthyridine-3-carboxamide
CID 110856628
4-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75519817
2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167748775
N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 96566964
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55645214
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
2-benzamido-N-[(2-methylphenyl)methyl]benzamide
CID 9488926
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
2-[acetyl(methyl)amino]-N-[2-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 75518245
N-(2-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327406

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide?
The IUPAC name of 6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide (CID 166351303) is 6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide?
The canonical SMILES for 6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide is Cc1ccccc1CNc1ccccc1NC(=O)c1cc2cc(O)ccc2nc1C.
What is the InChIKey of 6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide?
The InChIKey is YBOHCLKBBRJNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-7-3-4-8-18(16)15-26-23-9-5-6-10-24(23)28-25(30)21-14-19-13-20(29)11-12-22(19)27-17(21)2/h3-14,26,29H,15H2,1-2H3,(H,28,30).
What are the key properties of 6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide?
6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 5.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 166351303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).