N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C21H22N2O5 — CID 54683760

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(O)c2ccccc21
InChIInChI=1S/C21H22N2O5/c1-4-23-15-8-6-5-7-14(15)19(24)18(21(23)26)20(25)22-12-13-9-10-16(27-2)17(11-13)28-3/h5-11,24H,4,12H2,1-3H3,(H,22,25)
InChIKeyIFENLWAGBXJDGQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.67
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54683760) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54683760
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(O)c2ccccc21
InChIInChI=1S/C21H22N2O5/c1-4-23-15-8-6-5-7-14(15)19(24)18(21(23)26)20(25)22-12-13-9-10-16(27-2)17(11-13)28-3/h5-11,24H,4,12H2,1-3H3,(H,22,25)
InChIKeyIFENLWAGBXJDGQ-UHFFFAOYSA-N
XLogP2.67
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54683760) is N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(O)c2ccccc21.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is IFENLWAGBXJDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-4-23-15-8-6-5-7-14(15)19(24)18(21(23)26)20(25)22-12-13-9-10-16(27-2)17(11-13)28-3/h5-11,24H,4,12H2,1-3H3,(H,22,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54683760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).