4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide

C22H24N2O4 — CID 57245363

IUPAC4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(O)c3cc(C)ccc3n(C(C)C)c2=O)c1
InChIInChI=1S/C22H24N2O4/c1-13(2)24-18-9-8-14(3)10-17(18)20(25)19(22(24)27)21(26)23-12-15-6-5-7-16(11-15)28-4/h5-11,13,25H,12H2,1-4H3,(H,23,26)
InChIKeyBZYDADBIUHZPOJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.54
Rot. Bonds5

About 4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide

4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 57245363) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID57245363
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(O)c3cc(C)ccc3n(C(C)C)c2=O)c1
InChIInChI=1S/C22H24N2O4/c1-13(2)24-18-9-8-14(3)10-17(18)20(25)19(22(24)27)21(26)23-12-15-6-5-7-16(11-15)28-4/h5-11,13,25H,12H2,1-4H3,(H,23,26)
InChIKeyBZYDADBIUHZPOJ-UHFFFAOYSA-N
XLogP3.54
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
CID 42227339
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
CID 30860274
N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29217403
N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 24804939
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
CID 46393698
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
7-hydroxy-N-[(3-methoxyphenyl)methyl]-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733597

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 57245363) is 4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide is COc1cccc(CNC(=O)c2c(O)c3cc(C)ccc3n(C(C)C)c2=O)c1.
What is the InChIKey of 4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is BZYDADBIUHZPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13(2)24-18-9-8-14(3)10-17(18)20(25)19(22(24)27)21(26)23-12-15-6-5-7-16(11-15)28-4/h5-11,13,25H,12H2,1-4H3,(H,23,26).
What are the key properties of 4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 57245363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).