3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide

C21H22N2O4 — CID 90355439

IUPAC3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide
SMILESCc1ccccc1OCCCNC(=O)c1c(O)c(=O)n(C)c2ccccc12
InChIInChI=1S/C21H22N2O4/c1-14-8-3-6-11-17(14)27-13-7-12-22-20(25)18-15-9-4-5-10-16(15)23(2)21(26)19(18)24/h3-6,8-11,24H,7,12-13H2,1-2H3,(H,22,25)
InChIKeySPBYOCQAZPPYRK-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.75
Rot. Bonds6

About 3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide

3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide (PubChem CID 90355439) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide
PubChem CID90355439
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide
SMILESCc1ccccc1OCCCNC(=O)c1c(O)c(=O)n(C)c2ccccc12
InChIInChI=1S/C21H22N2O4/c1-14-8-3-6-11-17(14)27-13-7-12-22-20(25)18-15-9-4-5-10-16(15)23(2)21(26)19(18)24/h3-6,8-11,24H,7,12-13H2,1-2H3,(H,22,25)
InChIKeySPBYOCQAZPPYRK-UHFFFAOYSA-N
XLogP2.75
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide
CID 90355060
4-[3-[(3-hydroxy-1-methyl-2-oxoquinoline-4-carbonyl)amino]propoxy]benzoic acid
CID 118289789
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
CID 90355399
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 7463347
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063
N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
CID 2227968
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 90349487

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide (CID 90355439) is 3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide is Cc1ccccc1OCCCNC(=O)c1c(O)c(=O)n(C)c2ccccc12.
What is the InChIKey of 3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is SPBYOCQAZPPYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-8-3-6-11-17(14)27-13-7-12-22-20(25)18-15-9-4-5-10-16(15)23(2)21(26)19(18)24/h3-6,8-11,24H,7,12-13H2,1-2H3,(H,22,25).
What are the key properties of 3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide?
3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 90355439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).