N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride

C16H16ClN3 — CID 2789321

IUPACN-(2-ethylphenyl)quinazolin-4-amine;hydrochloride
SMILESCCc1ccccc1Nc1ncnc2ccccc12.Cl
InChIInChI=1S/C16H15N3.ClH/c1-2-12-7-3-5-9-14(12)19-16-13-8-4-6-10-15(13)17-11-18-16;/h3-11H,2H2,1H3,(H,17,18,19);1H
InChIKeyUULFKPUZZKHUKR-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.36
Rot. Bonds3

About N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride

N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride (PubChem CID 2789321) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-ethylphenyl)quinazolin-4-amine;hydrochloride
PubChem CID2789321
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC NameN-(2-ethylphenyl)quinazolin-4-amine;hydrochloride
SMILESCCc1ccccc1Nc1ncnc2ccccc12.Cl
InChIInChI=1S/C16H15N3.ClH/c1-2-12-7-3-5-9-14(12)19-16-13-8-4-6-10-15(13)17-11-18-16;/h3-11H,2H2,1H3,(H,17,18,19);1H
InChIKeyUULFKPUZZKHUKR-UHFFFAOYSA-N
XLogP4.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride (CID 2789321) is N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride is CCc1ccccc1Nc1ncnc2ccccc12.Cl.
What is the InChIKey of N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is UULFKPUZZKHUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3.ClH/c1-2-12-7-3-5-9-14(12)19-16-13-8-4-6-10-15(13)17-11-18-16;/h3-11H,2H2,1H3,(H,17,18,19);1H.
What are the key properties of N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride?
N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 2789321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).