(2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate

C20H20N2O4 — CID 6737947

IUPAC(2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate
SMILESCCCCOc1ccc(C(=O)On2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N2O4/c1-3-4-13-25-16-11-9-15(10-12-16)20(24)26-22-14(2)21-18-8-6-5-7-17(18)19(22)23/h5-12H,3-4,13H2,1-2H3
InChIKeyLDEDPTGZOZEJRV-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.15
Rot. Bonds6

About (2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate

(2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate (PubChem CID 6737947) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate.

Molecular Properties

Compound Name(2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate
PubChem CID6737947
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate
SMILESCCCCOc1ccc(C(=O)On2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N2O4/c1-3-4-13-25-16-11-9-15(10-12-16)20(24)26-22-14(2)21-18-8-6-5-7-17(18)19(22)23/h5-12H,3-4,13H2,1-2H3
InChIKeyLDEDPTGZOZEJRV-UHFFFAOYSA-N
XLogP3.15
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077206
4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988524
2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
CID 9239429
3-[4-[3-(hexylamino)propoxy]phenyl]-2-methylquinazolin-4-one
CID 141120873
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate
CID 118737735
3-butoxy-2-chloroquinazolin-4-one
CID 70145328
methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
CID 2216531
2-methyl-2-[4-[3-(2-methyl-4-oxoquinazolin-3-yl)propoxy]phenyl]sulfanylbutanoic acid
CID 59723890
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
2-methyl-2-[4-[3-(2-methyl-4-oxoquinazolin-3-yl)propoxy]phenyl]sulfanylpropanoic acid
CID 59723825
2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
CID 14947175

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate?
The IUPAC name of (2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate (CID 6737947) is (2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate.
What is the SMILES notation for (2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate?
The canonical SMILES for (2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate is CCCCOc1ccc(C(=O)On2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of (2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate?
The InChIKey is LDEDPTGZOZEJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-4-13-25-16-11-9-15(10-12-16)20(24)26-22-14(2)21-18-8-6-5-7-17(18)19(22)23/h5-12H,3-4,13H2,1-2H3.
What are the key properties of (2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate?
(2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate has a molecular weight of 352.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate is sourced from PubChem (CID 6737947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).