4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine

C23H22N4 — CID 3851416

IUPAC4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine
SMILESCc1ccc2nc(Nc3ccc(N(C)C)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C23H22N4/c1-16-9-14-21-20(15-16)22(17-7-5-4-6-8-17)26-23(25-21)24-18-10-12-19(13-11-18)27(2)3/h4-15H,1-3H3,(H,24,25,26)
InChIKeyUOFZZKGMCRDTCZ-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.41
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine (PubChem CID 3851416) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine
PubChem CID3851416
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine
SMILESCc1ccc2nc(Nc3ccc(N(C)C)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C23H22N4/c1-16-9-14-21-20(15-16)22(17-7-5-4-6-8-17)26-23(25-21)24-18-10-12-19(13-11-18)27(2)3/h4-15H,1-3H3,(H,24,25,26)
InChIKeyUOFZZKGMCRDTCZ-UHFFFAOYSA-N
XLogP5.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
6-methyl-4-phenyl-N-pyridin-3-ylquinazolin-2-amine
CID 4714222
6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
CID 782171
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 929491
6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 25337273
6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine
CID 90254100
4-(4,6-dimethylquinazolin-2-yl)-N,N-dimethylaniline
CID 102212163
2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685
6-methyl-N,4-diphenylquinolin-2-amine
CID 139231040
1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 50923303
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine (CID 3851416) is 4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine is Cc1ccc2nc(Nc3ccc(N(C)C)cc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine?
The InChIKey is UOFZZKGMCRDTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-16-9-14-21-20(15-16)22(17-7-5-4-6-8-17)26-23(25-21)24-18-10-12-19(13-11-18)27(2)3/h4-15H,1-3H3,(H,24,25,26).
What are the key properties of 4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine has a molecular weight of 354.46 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 3851416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).