7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine

C21H19N5O — CID 56679775

IUPAC7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine
SMILESCCOc1ccc(-c2cccnc2)cc1-c1ccc2c(N)nc(N)nc2c1
InChIInChI=1S/C21H19N5O/c1-2-27-19-8-6-13(15-4-3-9-24-12-15)10-17(19)14-5-7-16-18(11-14)25-21(23)26-20(16)22/h3-12H,2H2,1H3,(H4,22,23,25,26)
InChIKeyMDSKHVBXATUZID-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.92
Rot. Bonds4

About 7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine

7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine (PubChem CID 56679775) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine
PubChem CID56679775
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine
SMILESCCOc1ccc(-c2cccnc2)cc1-c1ccc2c(N)nc(N)nc2c1
InChIInChI=1S/C21H19N5O/c1-2-27-19-8-6-13(15-4-3-9-24-12-15)10-17(19)14-5-7-16-18(11-14)25-21(23)26-20(16)22/h3-12H,2H2,1H3,(H4,22,23,25,26)
InChIKeyMDSKHVBXATUZID-UHFFFAOYSA-N
XLogP3.92
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine (CID 56679775) is 7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine is CCOc1ccc(-c2cccnc2)cc1-c1ccc2c(N)nc(N)nc2c1.
What is the InChIKey of 7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine?
The InChIKey is MDSKHVBXATUZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-2-27-19-8-6-13(15-4-3-9-24-12-15)10-17(19)14-5-7-16-18(11-14)25-21(23)26-20(16)22/h3-12H,2H2,1H3,(H4,22,23,25,26).
What are the key properties of 7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine?
7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine has a molecular weight of 357.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56679775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).