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

C17H17N3O2 — CID 2808977

IUPAC6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC
InChIInChI=1S/C17H17N3O2/c1-11-5-4-6-12(7-11)20-17-13-8-15(21-2)16(22-3)9-14(13)18-10-19-17/h4-10H,1-3H3,(H,18,19,20)
InChIKeyRSVNNWQHWIOIOC-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.70
Rot. Bonds4

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

6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine (PubChem CID 2808977) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
PubChem CID2808977
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC
InChIInChI=1S/C17H17N3O2/c1-11-5-4-6-12(7-11)20-17-13-8-15(21-2)16(22-3)9-14(13)18-10-19-17/h4-10H,1-3H3,(H,18,19,20)
InChIKeyRSVNNWQHWIOIOC-UHFFFAOYSA-N
XLogP3.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine (CID 2808977) is 6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine is COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine?
The InChIKey is RSVNNWQHWIOIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-5-4-6-12(7-11)20-17-13-8-15(21-2)16(22-3)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-methylphenyl)quinazolin-4-amine?
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine has a molecular weight of 295.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 2808977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).