6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine

C17H17N3O3 — CID 2808988

IUPAC6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C17H17N3O3/c1-21-12-6-4-5-11(7-12)20-17-13-8-15(22-2)16(23-3)9-14(13)18-10-19-17/h4-10H,1-3H3,(H,18,19,20)
InChIKeyFMZCWRYXPHDICO-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.40
Rot. Bonds5

About 6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine

6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 2808988) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID2808988
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C17H17N3O3/c1-21-12-6-4-5-11(7-12)20-17-13-8-15(22-2)16(23-3)9-14(13)18-10-19-17/h4-10H,1-3H3,(H,18,19,20)
InChIKeyFMZCWRYXPHDICO-UHFFFAOYSA-N
XLogP3.40
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine (CID 2808988) is 6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is FMZCWRYXPHDICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-21-12-6-4-5-11(7-12)20-17-13-8-15(22-2)16(23-3)9-14(13)18-10-19-17/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine?
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 311.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 2808988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).