2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol

C22H19N3O — CID 2057502

IUPAC2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
SMILESCc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H19N3O/c1-14-11-12-18(15(2)13-14)23-21-16-7-3-5-9-19(16)24-22(25-21)17-8-4-6-10-20(17)26/h3-13,26H,1-2H3,(H,23,24,25)
InChIKeyIWERXCQZESBZAK-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.36
Rot. Bonds3

About 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol

2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol (PubChem CID 2057502) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
PubChem CID2057502
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
SMILESCc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H19N3O/c1-14-11-12-18(15(2)13-14)23-21-16-7-3-5-9-19(16)24-22(25-21)17-8-4-6-10-20(17)26/h3-13,26H,1-2H3,(H,23,24,25)
InChIKeyIWERXCQZESBZAK-UHFFFAOYSA-N
XLogP5.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964365
2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 7728865
N-(2-bromo-4-methylphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 3428781
methyl 4-(2,4-dimethylanilino)quinazoline-2-carboxylate
CID 139207867
N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 2806519
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 154233964
2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine
CID 132500565
2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol
CID 135874563
2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol
CID 143796174
2-(2,4-dimethylanilino)quinoline-4-carbonitrile
CID 63883902

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol (CID 2057502) is 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol is Cc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol?
The InChIKey is IWERXCQZESBZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-14-11-12-18(15(2)13-14)23-21-16-7-3-5-9-19(16)24-22(25-21)17-8-4-6-10-20(17)26/h3-13,26H,1-2H3,(H,23,24,25).
What are the key properties of 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol?
2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol has a molecular weight of 341.41 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol is sourced from PubChem (CID 2057502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).