2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride

C22H21ClN4 — CID 67925962

IUPAC2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride
SMILESCc1ccccc1Nc1nc(N(C)c2ccccc2)nc2ccccc12.Cl
InChIInChI=1S/C22H20N4.ClH/c1-16-10-6-8-14-19(16)23-21-18-13-7-9-15-20(18)24-22(25-21)26(2)17-11-4-3-5-12-17;/h3-15H,1-2H3,(H,23,24,25);1H
InChIKeyNHJMMMDYWMMAOC-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.87
Rot. Bonds4

About 2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride

2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride (PubChem CID 67925962) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride
PubChem CID67925962
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC Name2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride
SMILESCc1ccccc1Nc1nc(N(C)c2ccccc2)nc2ccccc12.Cl
InChIInChI=1S/C22H20N4.ClH/c1-16-10-6-8-14-19(16)23-21-18-13-7-9-15-20(18)24-22(25-21)26(2)17-11-4-3-5-12-17;/h3-15H,1-2H3,(H,23,24,25);1H
InChIKeyNHJMMMDYWMMAOC-UHFFFAOYSA-N
XLogP5.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)phenanthridin-6-amine
CID 3100304
2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
CID 19988726
4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 19988733
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 70704050
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-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
CID 127043185
3-N-methyl-5-N-(2-methylphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961740
4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol
CID 10405976
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine
CID 80761965
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 91963377
2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 174278917

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride (CID 67925962) is 2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride is Cc1ccccc1Nc1nc(N(C)c2ccccc2)nc2ccccc12.Cl.
What is the InChIKey of 2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride?
The InChIKey is NHJMMMDYWMMAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4.ClH/c1-16-10-6-8-14-19(16)23-21-18-13-7-9-15-20(18)24-22(25-21)26(2)17-11-4-3-5-12-17;/h3-15H,1-2H3,(H,23,24,25);1H.
What are the key properties of 2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride?
2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 67925962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).