N-benzyl-6,7-dimethoxyquinazolin-4-amine

C17H17N3O2 — CID 1474877

IUPACN-benzyl-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(NCc3ccccc3)c2cc1OC
InChIInChI=1S/C17H17N3O2/c1-21-15-8-13-14(9-16(15)22-2)19-11-20-17(13)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyFVWVAEZYXLGVIV-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.26
Rot. Bonds5

About N-benzyl-6,7-dimethoxyquinazolin-4-amine

N-benzyl-6,7-dimethoxyquinazolin-4-amine (PubChem CID 1474877) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-benzyl-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6,7-dimethoxyquinazolin-4-amine
PubChem CID1474877
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-benzyl-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(NCc3ccccc3)c2cc1OC
InChIInChI=1S/C17H17N3O2/c1-21-15-8-13-14(9-16(15)22-2)19-11-20-17(13)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyFVWVAEZYXLGVIV-UHFFFAOYSA-N
XLogP3.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-benzyl-6,7-dimethoxyquinazolin-4-amine (CID 1474877) is N-benzyl-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-benzyl-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-benzyl-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(NCc3ccccc3)c2cc1OC.
What is the InChIKey of N-benzyl-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is FVWVAEZYXLGVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-15-8-13-14(9-16(15)22-2)19-11-20-17(13)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-benzyl-6,7-dimethoxyquinazolin-4-amine?
N-benzyl-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 295.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 1474877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).