N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine

C16H13N3O3 — CID 66554700

IUPACN-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
SMILESCOc1ccc(Nc2ncnc3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C16H13N3O3/c1-20-11-4-2-10(3-5-11)19-16-12-6-14-15(22-9-21-14)7-13(12)17-8-18-16/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyIXOCTTRINIADBW-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.11
Rot. Bonds3

About N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine

N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine (PubChem CID 66554700) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
PubChem CID66554700
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
SMILESCOc1ccc(Nc2ncnc3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C16H13N3O3/c1-20-11-4-2-10(3-5-11)19-16-12-6-14-15(22-9-21-14)7-13(12)17-8-18-16/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyIXOCTTRINIADBW-UHFFFAOYSA-N
XLogP3.11
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol
CID 19963156
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 18770778
N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
CID 67719057
N-(3-ethynylphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
CID 18925061
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968835
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23481101
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
(8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one
CID 102520440
8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline
CID 91664973
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine
CID 154673012
1-(3,4-dichlorophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]urea
CID 44569611

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine?
The IUPAC name of N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine (CID 66554700) is N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine?
The canonical SMILES for N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine is COc1ccc(Nc2ncnc3cc4c(cc23)OCO4)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine?
The InChIKey is IXOCTTRINIADBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-20-11-4-2-10(3-5-11)19-16-12-6-14-15(22-9-21-14)7-13(12)17-8-18-16/h2-8H,9H2,1H3,(H,17,18,19).
What are the key properties of N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine?
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine has a molecular weight of 295.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 66554700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).