6-(3-methoxyphenyl)quinazolin-4-amine

C15H13N3O — CID 90054634

IUPAC6-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(N)c3c2)c1
InChIInChI=1S/C15H13N3O/c1-19-12-4-2-3-10(7-12)11-5-6-14-13(8-11)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18)
InChIKeyHAFNABUNLVCDOP-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.89
Rot. Bonds2

About 6-(3-methoxyphenyl)quinazolin-4-amine

6-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 90054634) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID90054634
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name6-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(N)c3c2)c1
InChIInChI=1S/C15H13N3O/c1-19-12-4-2-3-10(7-12)11-5-6-14-13(8-11)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18)
InChIKeyHAFNABUNLVCDOP-UHFFFAOYSA-N
XLogP2.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)quinazolin-4-amine (CID 90054634) is 6-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(N)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is HAFNABUNLVCDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-12-4-2-3-10(7-12)11-5-6-14-13(8-11)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 6-(3-methoxyphenyl)quinazolin-4-amine?
6-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 251.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 90054634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).