7-(2-methoxyphenyl)quinazoline-2,4-diamine

C15H14N4O — CID 53346505

IUPAC7-(2-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccccc1-c1ccc2c(N)nc(N)nc2c1
InChIInChI=1S/C15H14N4O/c1-20-13-5-3-2-4-10(13)9-6-7-11-12(8-9)18-15(17)19-14(11)16/h2-8H,1H3,(H4,16,17,18,19)
InChIKeyGZWYCJUKEDOCPW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.47
Rot. Bonds2

About 7-(2-methoxyphenyl)quinazoline-2,4-diamine

7-(2-methoxyphenyl)quinazoline-2,4-diamine (PubChem CID 53346505) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)quinazoline-2,4-diamine
PubChem CID53346505
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name7-(2-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccccc1-c1ccc2c(N)nc(N)nc2c1
InChIInChI=1S/C15H14N4O/c1-20-13-5-3-2-4-10(13)9-6-7-11-12(8-9)18-15(17)19-14(11)16/h2-8H,1H3,(H4,16,17,18,19)
InChIKeyGZWYCJUKEDOCPW-UHFFFAOYSA-N
XLogP2.47
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 7-(2-methoxyphenyl)quinazoline-2,4-diamine (CID 53346505) is 7-(2-methoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(2-methoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(2-methoxyphenyl)quinazoline-2,4-diamine is COc1ccccc1-c1ccc2c(N)nc(N)nc2c1.
What is the InChIKey of 7-(2-methoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is GZWYCJUKEDOCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-13-5-3-2-4-10(13)9-6-7-11-12(8-9)18-15(17)19-14(11)16/h2-8H,1H3,(H4,16,17,18,19).
What are the key properties of 7-(2-methoxyphenyl)quinazoline-2,4-diamine?
7-(2-methoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 53346505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).