2-butoxy-3H-quinazolin-4-one

C12H14N2O2 — CID 136999718

IUPAC2-butoxy-3H-quinazolin-4-one
SMILESCCCCOc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H14N2O2/c1-2-3-8-16-12-13-10-7-5-4-6-9(10)11(15)14-12/h4-7H,2-3,8H2,1H3,(H,13,14,15)
InChIKeyZKIKCRSQXULERD-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.10
Rot. Bonds4

About 2-butoxy-3H-quinazolin-4-one

2-butoxy-3H-quinazolin-4-one (PubChem CID 136999718) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-butoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-butoxy-3H-quinazolin-4-one
PubChem CID136999718
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-butoxy-3H-quinazolin-4-one
SMILESCCCCOc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H14N2O2/c1-2-3-8-16-12-13-10-7-5-4-6-9(10)11(15)14-12/h4-7H,2-3,8H2,1H3,(H,13,14,15)
InChIKeyZKIKCRSQXULERD-UHFFFAOYSA-N
XLogP2.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168552065
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-[2-[(1-methylcyclopentyl)methylamino]ethoxy]-3H-quinazolin-4-one
CID 138006590
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551335
2-hexylsulfanyl-3H-quinazolin-4-one
CID 135492059
2-heptylsulfanyl-3H-quinazolin-4-one
CID 135464963
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899320
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-hexadecoxy-3,1-benzoxazin-4-one
CID 21360827
2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one
CID 135697144

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3H-quinazolin-4-one?
The IUPAC name of 2-butoxy-3H-quinazolin-4-one (CID 136999718) is 2-butoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-butoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-butoxy-3H-quinazolin-4-one is CCCCOc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-butoxy-3H-quinazolin-4-one?
The InChIKey is ZKIKCRSQXULERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-3-8-16-12-13-10-7-5-4-6-9(10)11(15)14-12/h4-7H,2-3,8H2,1H3,(H,13,14,15).
What are the key properties of 2-butoxy-3H-quinazolin-4-one?
2-butoxy-3H-quinazolin-4-one has a molecular weight of 218.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136999718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).