6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one

C12H12N2O3 — CID 136803779

IUPAC6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
SMILESCCCc1nc2cc3c(cc2c(=O)[nH]1)OCO3
InChIInChI=1S/C12H12N2O3/c1-2-3-11-13-8-5-10-9(16-6-17-10)4-7(8)12(15)14-11/h4-5H,2-3,6H2,1H3,(H,13,14,15)
InChIKeyDSMBGYRKMMRAHC-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.60
Rot. Bonds2

About 6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one

6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one (PubChem CID 136803779) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
PubChem CID136803779
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
SMILESCCCc1nc2cc3c(cc2c(=O)[nH]1)OCO3
InChIInChI=1S/C12H12N2O3/c1-2-3-11-13-8-5-10-9(16-6-17-10)4-7(8)12(15)14-11/h4-5H,2-3,6H2,1H3,(H,13,14,15)
InChIKeyDSMBGYRKMMRAHC-UHFFFAOYSA-N
XLogP1.60
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-one
CID 120000
6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one
CID 135409305
N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
2-(Benzo[d][1,3]dioxol-5-yl)quinazolin-4(1H)-one
CID 135448518
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
3-Amino-2-cyclobutyl-6,7-dimethoxy-3H-quinazolin-4-one
CID 6488201
(7S)-13,15-dioxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),8,10,12(16)-tetraen-2-one
CID 10377152
2-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-4-quinazolinol
CID 135399475
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 650223
6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-quinazolin-4-one
CID 135415476
14,14-difluoro-9-oxo-N-(2-pyrrolidin-1-ylethyl)-13,15-dioxa-2,8-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,4,6,10,12(16)-hexaene-4-carboxamide
CID 162763906
9-oxo-N-(2-pyrrolidin-1-ylethyl)-13,15-dioxa-2,8-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,4,6,10,12(16)-hexaene-4-carboxamide
CID 162763916

Frequently Asked Questions

What is the IUPAC name of 6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one (CID 136803779) is 6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one is CCCc1nc2cc3c(cc2c(=O)[nH]1)OCO3.
What is the InChIKey of 6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The InChIKey is DSMBGYRKMMRAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-3-11-13-8-5-10-9(16-6-17-10)4-7(8)12(15)14-11/h4-5H,2-3,6H2,1H3,(H,13,14,15).
What are the key properties of 6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one has a molecular weight of 232.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 136803779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).