[8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol

C17H12N2O5 — CID 23505655

IUPAC[8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol
SMILESOCc1nc(-c2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3
InChIInChI=1S/C17H12N2O5/c20-6-16-18-11-5-15-14(23-8-24-15)4-10(11)17(19-16)9-1-2-12-13(3-9)22-7-21-12/h1-5,20H,6-8H2
InChIKeyWXGHAPUHYBKVPF-UHFFFAOYSA-N
MW324.29 g/mol
LogP2.25
Rot. Bonds2

About [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol

[8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol (PubChem CID 23505655) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol.

Molecular Properties

Compound Name[8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol
PubChem CID23505655
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC Name[8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol
SMILESOCc1nc(-c2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3
InChIInChI=1S/C17H12N2O5/c20-6-16-18-11-5-15-14(23-8-24-15)4-10(11)17(19-16)9-1-2-12-13(3-9)22-7-21-12/h1-5,20H,6-8H2
InChIKeyWXGHAPUHYBKVPF-UHFFFAOYSA-N
XLogP2.25
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol with MolForge

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Related Compounds

(6-amino-1,3-benzodioxol-5-yl)-(1,3-benzodioxol-5-yl)methanone;8-(1,3-benzodioxol-5-yl)-6-ethyl-[1,3]dioxolo[4,5-g]quinazoline;methane;propanenitrile
CID 160699464
2,3-bis(1,3-benzodioxol-5-yl)phenanthro[9,10-b]pyrazine
CID 59695647
8-(1,3-benzodioxol-5-yl)-12,14-dioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one
CID 101002428
[3-(1,3-benzodioxol-5-yl)phenyl]methanol
CID 118042431
8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one
CID 23505711
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]acetic acid
CID 82483287
4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)pyrimidine
CID 116899243
2-(1,3-benzodioxol-5-yl)-3-bromo-4-phenylquinoline
CID 2465752
2-[3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyisoquinolin-4-yl]ethanol
CID 11958359
[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961567
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid
CID 18073383

Frequently Asked Questions

What is the IUPAC name of [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol?
The IUPAC name of [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol (CID 23505655) is [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol.
What is the SMILES notation for [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol?
The canonical SMILES for [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol is OCc1nc(-c2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3.
What is the InChIKey of [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol?
The InChIKey is WXGHAPUHYBKVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c20-6-16-18-11-5-15-14(23-8-24-15)4-10(11)17(19-16)9-1-2-12-13(3-9)22-7-21-12/h1-5,20H,6-8H2.
What are the key properties of [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol?
[8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol has a molecular weight of 324.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]methanol is sourced from PubChem (CID 23505655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).