6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline

C18H20N2O2 — CID 2802225

IUPAC6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline
SMILESCCOc1ccc(N2C=Nc3ccc(OCC)cc3C2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-21-16-7-5-15(6-8-16)20-12-14-11-17(22-4-2)9-10-18(14)19-13-20/h5-11,13H,3-4,12H2,1-2H3
InChIKeyGJIAYCMUOARMFM-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.16
Rot. Bonds5

About 6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline

6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline (PubChem CID 2802225) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline.

Molecular Properties

Compound Name6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline
PubChem CID2802225
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline
SMILESCCOc1ccc(N2C=Nc3ccc(OCC)cc3C2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-21-16-7-5-15(6-8-16)20-12-14-11-17(22-4-2)9-10-18(14)19-13-20/h5-11,13H,3-4,12H2,1-2H3
InChIKeyGJIAYCMUOARMFM-UHFFFAOYSA-N
XLogP4.16
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine
CID 175003872
6-ethoxy-1-methyl-3,4-dihydroisoquinoline
CID 3029059
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133
1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole
CID 90935639
2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 20866828
[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
CID 114702711
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrole-2,5-diol
CID 91895790
2-(chloromethyl)-3-(4-ethoxyphenyl)-4H-quinazoline
CID 175305189
4-(4-ethoxyphenyl)piperazine-2,6-dione
CID 63789608
1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide
CID 173052685
1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316058
1-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 2848649

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline?
The IUPAC name of 6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline (CID 2802225) is 6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline.
What is the SMILES notation for 6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline?
The canonical SMILES for 6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline is CCOc1ccc(N2C=Nc3ccc(OCC)cc3C2)cc1.
What is the InChIKey of 6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline?
The InChIKey is GJIAYCMUOARMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-21-16-7-5-15(6-8-16)20-12-14-11-17(22-4-2)9-10-18(14)19-13-20/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of 6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline?
6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline has a molecular weight of 296.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline is sourced from PubChem (CID 2802225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).