6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride

C20H24ClN3O2 — CID 68570553

IUPAC6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
SMILESCCOc1cc2ncnc(Nc3cccc(CC)c3)c2cc1OCC.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-4-14-8-7-9-15(10-14)23-20-16-11-18(24-5-2)19(25-6-3)12-17(16)21-13-22-20;/h7-13H,4-6H2,1-3H3,(H,21,22,23);1H
InChIKeyUBJKTYRKAVZTFC-UHFFFAOYSA-N
MW373.88 g/mol
LogP5.16
Rot. Bonds7

About 6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride

6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride (PubChem CID 68570553) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
PubChem CID68570553
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
SMILESCCOc1cc2ncnc(Nc3cccc(CC)c3)c2cc1OCC.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-4-14-8-7-9-15(10-14)23-20-16-11-18(24-5-2)19(25-6-3)12-17(16)21-13-22-20;/h7-13H,4-6H2,1-3H3,(H,21,22,23);1H
InChIKeyUBJKTYRKAVZTFC-UHFFFAOYSA-N
XLogP5.16
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
CID 56984561
6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine
CID 10172616
6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine
CID 57445232
6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10216043
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
6-(2-chloroethoxy)-N-(3-ethynylphenyl)-7-propoxyquinazolin-4-amine
CID 154677809
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071894

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride (CID 68570553) is 6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride is CCOc1cc2ncnc(Nc3cccc(CC)c3)c2cc1OCC.Cl.
What is the InChIKey of 6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is UBJKTYRKAVZTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-4-14-8-7-9-15(10-14)23-20-16-11-18(24-5-2)19(25-6-3)12-17(16)21-13-22-20;/h7-13H,4-6H2,1-3H3,(H,21,22,23);1H.
What are the key properties of 6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride?
6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 68570553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).