2-propoxy-3-propylquinazolin-4-one

C14H18N2O2 — CID 11770728

IUPAC2-propoxy-3-propylquinazolin-4-one
SMILESCCCOc1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyUQWLSCVKSAZQLB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.60
Rot. Bonds5

About 2-propoxy-3-propylquinazolin-4-one

2-propoxy-3-propylquinazolin-4-one (PubChem CID 11770728) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-propoxy-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-propoxy-3-propylquinazolin-4-one
PubChem CID11770728
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-propoxy-3-propylquinazolin-4-one
SMILESCCCOc1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyUQWLSCVKSAZQLB-UHFFFAOYSA-N
XLogP2.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4(1H)-Quinazolinone
CID 135408753
2-Methyl-4(3H)-quinazolinone
CID 135400457
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
CID 78144
Proquinazid
CID 11057771
Deoxyvasicinone
CID 68261
3-Methyl-4(3H)-quinazolinone
CID 17088
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
Glycorine
CID 18992
2-(4-Oxo-3,4-dihydroquinazolin-3-yl)acetic acid
CID 729359
3-phenyl-3H-quinazolin-4-one
CID 785275
2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one
CID 726944
2-(propylamino)-4(3H)-quinazolinone
CID 135439661

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3-propylquinazolin-4-one?
The IUPAC name of 2-propoxy-3-propylquinazolin-4-one (CID 11770728) is 2-propoxy-3-propylquinazolin-4-one.
What is the SMILES notation for 2-propoxy-3-propylquinazolin-4-one?
The canonical SMILES for 2-propoxy-3-propylquinazolin-4-one is CCCOc1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of 2-propoxy-3-propylquinazolin-4-one?
The InChIKey is UQWLSCVKSAZQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-propoxy-3-propylquinazolin-4-one?
2-propoxy-3-propylquinazolin-4-one has a molecular weight of 246.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3-propylquinazolin-4-one is sourced from PubChem (CID 11770728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).