4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide

C18H16N2O3 — CID 172799155

IUPAC4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCc1cccc(-c2cccc3c2c(O)c(C(N)=O)c(=O)n3C)c1
InChIInChI=1S/C18H16N2O3/c1-10-5-3-6-11(9-10)12-7-4-8-13-14(12)16(21)15(17(19)22)18(23)20(13)2/h3-9,21H,1-2H3,(H2,19,22)
InChIKeyQPTFJQRTIWKRHY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.32
Rot. Bonds2

About 4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide

4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide (PubChem CID 172799155) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
PubChem CID172799155
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCc1cccc(-c2cccc3c2c(O)c(C(N)=O)c(=O)n3C)c1
InChIInChI=1S/C18H16N2O3/c1-10-5-3-6-11(9-10)12-7-4-8-13-14(12)16(21)15(17(19)22)18(23)20(13)2/h3-9,21H,1-2H3,(H2,19,22)
InChIKeyQPTFJQRTIWKRHY-UHFFFAOYSA-N
XLogP2.32
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-hydroxy-1-methyl-2-oxo-6-phenylquinoline-3-carboxamide
CID 66586693
2,6-bis(4-methylphenyl)benzamide
CID 11301076
N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide
CID 67082082
1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one
CID 142106611
2-(3-methylphenyl)phenol
CID 11206198
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
12,14-dimethyl-9-(3-methylphenyl)-17-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
CID 5015181
5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
CID 70122373
methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
CID 67387665
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
6-ethyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 663566
[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea
CID 135482677

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide (CID 172799155) is 4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide is Cc1cccc(-c2cccc3c2c(O)c(C(N)=O)c(=O)n3C)c1.
What is the InChIKey of 4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is QPTFJQRTIWKRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-10-5-3-6-11(9-10)12-7-4-8-13-14(12)16(21)15(17(19)22)18(23)20(13)2/h3-9,21H,1-2H3,(H2,19,22).
What are the key properties of 4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-(3-methylphenyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 172799155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).