N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride

C16H16ClN3O — CID 16875676

IUPACN-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILESCCOc1ccc(Nc2ncnc3ccccc23)cc1.Cl
InChIInChI=1S/C16H15N3O.ClH/c1-2-20-13-9-7-12(8-10-13)19-16-14-5-3-4-6-15(14)17-11-18-16;/h3-11H,2H2,1H3,(H,17,18,19);1H
InChIKeyDNEXABCQQYLIBY-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.19
Rot. Bonds4

About N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride

N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride (PubChem CID 16875676) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
PubChem CID16875676
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILESCCOc1ccc(Nc2ncnc3ccccc23)cc1.Cl
InChIInChI=1S/C16H15N3O.ClH/c1-2-20-13-9-7-12(8-10-13)19-16-14-5-3-4-6-15(14)17-11-18-16;/h3-11H,2H2,1H3,(H,17,18,19);1H
InChIKeyDNEXABCQQYLIBY-UHFFFAOYSA-N
XLogP4.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride (CID 16875676) is N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride is CCOc1ccc(Nc2ncnc3ccccc23)cc1.Cl.
What is the InChIKey of N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is DNEXABCQQYLIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.ClH/c1-2-20-13-9-7-12(8-10-13)19-16-14-5-3-4-6-15(14)17-11-18-16;/h3-11H,2H2,1H3,(H,17,18,19);1H.
What are the key properties of N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride?
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 16875676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).