4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide

C22H20N4O4 — CID 54679505

IUPAC4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide
SMILESCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C22H20N4O4/c1-3-8-17-23-15-11-6-4-9-13(15)21(29)26(17)24-20(28)18-19(27)14-10-5-7-12-16(14)25(2)22(18)30/h4-7,9-12,27H,3,8H2,1-2H3,(H,24,28)
InChIKeyFVGHBWBYHITQJE-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.29
Rot. Bonds4

About 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide

4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide (PubChem CID 54679505) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide
PubChem CID54679505
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide
SMILESCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C22H20N4O4/c1-3-8-17-23-15-11-6-4-9-13(15)21(29)26(17)24-20(28)18-19(27)14-10-5-7-12-16(14)25(2)22(18)30/h4-7,9-12,27H,3,8H2,1-2H3,(H,24,28)
InChIKeyFVGHBWBYHITQJE-UHFFFAOYSA-N
XLogP2.29
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide (CID 54679505) is 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide is CCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide?
The InChIKey is FVGHBWBYHITQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-3-8-17-23-15-11-6-4-9-13(15)21(29)26(17)24-20(28)18-19(27)14-10-5-7-12-16(14)25(2)22(18)30/h4-7,9-12,27H,3,8H2,1-2H3,(H,24,28).
What are the key properties of 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide?
4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)quinoline-3-carboxamide is sourced from PubChem (CID 54679505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).