N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine

C18H17N3O4 — CID 10065791

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine
SMILESCOc1cc(OC)c2ncnc(NCc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C18H17N3O4/c1-22-12-6-13-17(16(7-12)23-2)20-9-21-18(13)19-8-11-3-4-14-15(5-11)25-10-24-14/h3-7,9H,8,10H2,1-2H3,(H,19,20,21)
InChIKeyOSKUZWKBJAUIEL-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.99
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine (PubChem CID 10065791) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine
PubChem CID10065791
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine
SMILESCOc1cc(OC)c2ncnc(NCc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C18H17N3O4/c1-22-12-6-13-17(16(7-12)23-2)20-9-21-18(13)19-8-11-3-4-14-15(5-11)25-10-24-14/h3-7,9H,8,10H2,1-2H3,(H,19,20,21)
InChIKeyOSKUZWKBJAUIEL-UHFFFAOYSA-N
XLogP2.99
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 10448853
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860350
N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110874951
1-(1,3-benzodioxol-5-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 30609570
N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 25166185
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 22542548
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22542600
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23481101
2-N-(2-aminoethyl)-4-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxyquinazoline-2,4-diamine
CID 21183886
4-N-(1,3-benzodioxol-5-ylmethyl)quinazoline-4,6-diamine
CID 89036055
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112860359
N-(1,3-benzodioxol-5-ylmethyl)-4,6,7,8-tetramethoxyquinazolin-2-amine
CID 21184047

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine (CID 10065791) is N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine is COc1cc(OC)c2ncnc(NCc3ccc4c(c3)OCO4)c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine?
The InChIKey is OSKUZWKBJAUIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-22-12-6-13-17(16(7-12)23-2)20-9-21-18(13)19-8-11-3-4-14-15(5-11)25-10-24-14/h3-7,9H,8,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine has a molecular weight of 339.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 10065791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).