4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol

C23H22N4O — CID 71690802

IUPAC4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol
SMILESCc1ccc(CNc2nc(Nc3cc(C)ccc3O)nc3ccccc23)cc1
InChIInChI=1S/C23H22N4O/c1-15-7-10-17(11-8-15)14-24-22-18-5-3-4-6-19(18)25-23(27-22)26-20-13-16(2)9-12-21(20)28/h3-13,28H,14H2,1-2H3,(H2,24,25,26,27)
InChIKeyHYYNSCRXQSRKGT-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.31
Rot. Bonds5

About 4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol

4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol (PubChem CID 71690802) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol
PubChem CID71690802
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol
SMILESCc1ccc(CNc2nc(Nc3cc(C)ccc3O)nc3ccccc23)cc1
InChIInChI=1S/C23H22N4O/c1-15-7-10-17(11-8-15)14-24-22-18-5-3-4-6-19(18)25-23(27-22)26-20-13-16(2)9-12-21(20)28/h3-13,28H,14H2,1-2H3,(H2,24,25,26,27)
InChIKeyHYYNSCRXQSRKGT-UHFFFAOYSA-N
XLogP5.31
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]phenol
CID 91963559
2-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]-4-methylphenol
CID 71691173
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 91963377
methyl 4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]benzoate
CID 71690791
4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine
CID 71690708
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-dimethylphenyl)quinazoline-2,4-diamine
CID 71690707
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
CID 56553646

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol?
The IUPAC name of 4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol (CID 71690802) is 4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol?
The canonical SMILES for 4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol is Cc1ccc(CNc2nc(Nc3cc(C)ccc3O)nc3ccccc23)cc1.
What is the InChIKey of 4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol?
The InChIKey is HYYNSCRXQSRKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-7-10-17(11-8-15)14-24-22-18-5-3-4-6-19(18)25-23(27-22)26-20-13-16(2)9-12-21(20)28/h3-13,28H,14H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol?
4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol has a molecular weight of 370.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 71690802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).