4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride

C23H23ClN4 — CID 19988733

IUPAC4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCCc1ccccc1Nc1nc(Nc2ccccc2C)nc2ccccc12.Cl
InChIInChI=1S/C23H22N4.ClH/c1-3-17-11-5-8-14-20(17)24-22-18-12-6-9-15-21(18)26-23(27-22)25-19-13-7-4-10-16(19)2;/h4-15H,3H2,1-2H3,(H2,24,25,26,27);1H
InChIKeyWYQIDFLDNHMRRF-UHFFFAOYSA-N
MW390.92 g/mol
LogP6.41
Rot. Bonds5

About 4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride

4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 19988733) has the molecular formula C23H23ClN4 and a molecular weight of 390.92 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID19988733
Molecular FormulaC23H23ClN4
Molecular Weight390.92 g/mol
Exact Mass390.16
IUPAC Name4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCCc1ccccc1Nc1nc(Nc2ccccc2C)nc2ccccc12.Cl
InChIInChI=1S/C23H22N4.ClH/c1-3-17-11-5-8-14-20(17)24-22-18-12-6-9-15-21(18)26-23(27-22)25-19-13-7-4-10-16(19)2;/h4-15H,3H2,1-2H3,(H2,24,25,26,27);1H
InChIKeyWYQIDFLDNHMRRF-UHFFFAOYSA-N
XLogP6.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.92
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
CID 19988726
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 91963377
N-(2-methylphenyl)phenanthridin-6-amine
CID 3100304
2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67925962
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 70704050
N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2789700
N-(2-ethylphenyl)quinazolin-2-amine
CID 23056755
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 19988739
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691168
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 174278917
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-dimethylphenyl)quinazoline-2,4-diamine
CID 71690707

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride (CID 19988733) is 4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride is CCc1ccccc1Nc1nc(Nc2ccccc2C)nc2ccccc12.Cl.
What is the InChIKey of 4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is WYQIDFLDNHMRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4.ClH/c1-3-17-11-5-8-14-20(17)24-22-18-12-6-9-15-21(18)26-23(27-22)25-19-13-7-4-10-16(19)2;/h4-15H,3H2,1-2H3,(H2,24,25,26,27);1H.
What are the key properties of 4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 6.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 19988733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).