4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide

C21H22N2O4 — CID 54676415

IUPAC4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCc2ccccc2OC)c(O)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-3-12-23-16-10-6-5-9-15(16)19(24)18(21(23)26)20(25)22-13-14-8-4-7-11-17(14)27-2/h4-11,24H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyDZZGMQOARQMGIH-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.06
Rot. Bonds6

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

4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 54676415) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID54676415
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCc2ccccc2OC)c(O)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-3-12-23-16-10-6-5-9-15(16)19(24)18(21(23)26)20(25)22-13-14-8-4-7-11-17(14)27-2/h4-11,24H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyDZZGMQOARQMGIH-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide (CID 54676415) is 4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)NCc2ccccc2OC)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is DZZGMQOARQMGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-12-23-16-10-6-5-9-15(16)19(24)18(21(23)26)20(25)22-13-14-8-4-7-11-17(14)27-2/h4-11,24H,3,12-13H2,1-2H3,(H,22,25).
What are the key properties of 4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide?
4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 54676415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).