2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one

C21H19N3O3 — CID 135400710

IUPAC2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
SMILESCCCCn1c(=O)c(-c2nc3ccccc3c(=O)[nH]2)c(O)c2ccccc21
InChIInChI=1S/C21H19N3O3/c1-2-3-12-24-16-11-7-5-9-14(16)18(25)17(21(24)27)19-22-15-10-6-4-8-13(15)20(26)23-19/h4-11,25H,2-3,12H2,1H3,(H,22,23,26)
InChIKeyIDYVZIWJWFDPKZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.41
Rot. Bonds4

About 2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one

2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one (PubChem CID 135400710) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
PubChem CID135400710
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
SMILESCCCCn1c(=O)c(-c2nc3ccccc3c(=O)[nH]2)c(O)c2ccccc21
InChIInChI=1S/C21H19N3O3/c1-2-3-12-24-16-11-7-5-9-14(16)18(25)17(21(24)27)19-22-15-10-6-4-8-13(15)20(26)23-19/h4-11,25H,2-3,12H2,1H3,(H,22,23,26)
InChIKeyIDYVZIWJWFDPKZ-UHFFFAOYSA-N
XLogP3.41
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one (CID 135400710) is 2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one is CCCCn1c(=O)c(-c2nc3ccccc3c(=O)[nH]2)c(O)c2ccccc21.
What is the InChIKey of 2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one?
The InChIKey is IDYVZIWJWFDPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-2-3-12-24-16-11-7-5-9-14(16)18(25)17(21(24)27)19-22-15-10-6-4-8-13(15)20(26)23-19/h4-11,25H,2-3,12H2,1H3,(H,22,23,26).
What are the key properties of 2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one?
2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one has a molecular weight of 361.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135400710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).