6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine

C22H21N3O3 — CID 10309300

IUPAC6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4ccco4)c3)c2cc1OCC
InChIInChI=1S/C22H21N3O3/c1-3-26-20-12-17-18(13-21(20)27-4-2)23-14-24-22(17)25-16-8-5-7-15(11-16)19-9-6-10-28-19/h5-14H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyBIWPVOALWJBGSX-UHFFFAOYSA-N
MW375.43 g/mol
LogP5.43
Rot. Bonds7

About 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine

6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine (PubChem CID 10309300) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine
PubChem CID10309300
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4ccco4)c3)c2cc1OCC
InChIInChI=1S/C22H21N3O3/c1-3-26-20-12-17-18(13-21(20)27-4-2)23-14-24-22(17)25-16-8-5-7-15(11-16)19-9-6-10-28-19/h5-14H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyBIWPVOALWJBGSX-UHFFFAOYSA-N
XLogP5.43
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine (CID 10309300) is 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4ccco4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine?
The InChIKey is BIWPVOALWJBGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-26-20-12-17-18(13-21(20)27-4-2)23-14-24-22(17)25-16-8-5-7-15(11-16)19-9-6-10-28-19/h5-14H,3-4H2,1-2H3,(H,23,24,25).
What are the key properties of 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine has a molecular weight of 375.43 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10309300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).