8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride

C23H23ClN4O — CID 19988739

IUPAC8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOc1cccc2c(Nc3ccccc3C)nc(Nc3ccccc3C)nc12.Cl
InChIInChI=1S/C23H22N4O.ClH/c1-15-9-4-6-12-18(15)24-22-17-11-8-14-20(28-3)21(17)26-23(27-22)25-19-13-7-5-10-16(19)2;/h4-14H,1-3H3,(H2,24,25,26,27);1H
InChIKeyDWATZRZDXFXGHO-UHFFFAOYSA-N
MW406.92 g/mol
LogP6.16
Rot. Bonds5

About 8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride

8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 19988739) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID19988739
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOc1cccc2c(Nc3ccccc3C)nc(Nc3ccccc3C)nc12.Cl
InChIInChI=1S/C23H22N4O.ClH/c1-15-9-4-6-12-18(15)24-22-17-11-8-14-20(28-3)21(17)26-23(27-22)25-19-13-7-5-10-16(19)2;/h4-14H,1-3H3,(H2,24,25,26,27);1H
InChIKeyDWATZRZDXFXGHO-UHFFFAOYSA-N
XLogP6.16
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.92
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
CID 10248595
2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 88617445
2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride
CID 67899463
2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
CID 19988726
2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)-8-(3-morpholin-4-ylpropoxy)quinazoline-2,4-diamine
CID 67864600
4-N-cyclopropyl-2-N-(4-ethylsulfonyl-2-methylphenyl)-8-methoxyquinazoline-2,4-diamine
CID 67717915
2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67718532
4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720850
4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 19988733
2-N,4-N-bis(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine;hydrochloride
CID 67948635
4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80769065
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691168

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride (CID 19988739) is 8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride is COc1cccc2c(Nc3ccccc3C)nc(Nc3ccccc3C)nc12.Cl.
What is the InChIKey of 8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is DWATZRZDXFXGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O.ClH/c1-15-9-4-6-12-18(15)24-22-17-11-8-14-20(28-3)21(17)26-23(27-22)25-19-13-7-5-10-16(19)2;/h4-14H,1-3H3,(H2,24,25,26,27);1H.
What are the key properties of 8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 406.92 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 19988739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).