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

C16H16N4O — CID 56666219

IUPAC7-(2-ethoxyphenyl)quinazoline-2,4-diamine
SMILESCCOc1ccccc1-c1ccc2c(N)nc(N)nc2c1
InChIInChI=1S/C16H16N4O/c1-2-21-14-6-4-3-5-11(14)10-7-8-12-13(9-10)19-16(18)20-15(12)17/h3-9H,2H2,1H3,(H4,17,18,19,20)
InChIKeyYUQSMDFWZIVXAK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.86
Rot. Bonds3

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

7-(2-ethoxyphenyl)quinazoline-2,4-diamine (PubChem CID 56666219) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-(2-ethoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(2-ethoxyphenyl)quinazoline-2,4-diamine
PubChem CID56666219
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name7-(2-ethoxyphenyl)quinazoline-2,4-diamine
SMILESCCOc1ccccc1-c1ccc2c(N)nc(N)nc2c1
InChIInChI=1S/C16H16N4O/c1-2-21-14-6-4-3-5-11(14)10-7-8-12-13(9-10)19-16(18)20-15(12)17/h3-9H,2H2,1H3,(H4,17,18,19,20)
InChIKeyYUQSMDFWZIVXAK-UHFFFAOYSA-N
XLogP2.86
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 7-(2-ethoxyphenyl)quinazoline-2,4-diamine (CID 56666219) is 7-(2-ethoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(2-ethoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(2-ethoxyphenyl)quinazoline-2,4-diamine is CCOc1ccccc1-c1ccc2c(N)nc(N)nc2c1.
What is the InChIKey of 7-(2-ethoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is YUQSMDFWZIVXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-21-14-6-4-3-5-11(14)10-7-8-12-13(9-10)19-16(18)20-15(12)17/h3-9H,2H2,1H3,(H4,17,18,19,20).
What are the key properties of 7-(2-ethoxyphenyl)quinazoline-2,4-diamine?
7-(2-ethoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 280.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56666219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).