4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol

C20H14ClN3O — CID 693201

IUPAC4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C20H14ClN3O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(24-19)22-15-9-11-16(25)12-10-15/h1-12,25H,(H,22,23,24)
InChIKeyULNISCUYEQNWHA-UHFFFAOYSA-N
MW347.81 g/mol
LogP5.40
Rot. Bonds3

About 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol

4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol (PubChem CID 693201) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol
PubChem CID693201
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C20H14ClN3O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(24-19)22-15-9-11-16(25)12-10-15/h1-12,25H,(H,22,23,24)
InChIKeyULNISCUYEQNWHA-UHFFFAOYSA-N
XLogP5.40
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.81
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
4-(2-(6-Chloroquinazolin-4-ylamino)ethyl)phenol
CID 23631972
2-{(6Z)-6-[(3-chlorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
CID 719251
3-[(2-Phenylquinazolin-4-yl)amino]phenol
CID 693197
4-[(2-Phenyl-4-quinazolinyl)amino]phenol
CID 693198
4-[[2-(2-Fluorophenyl)quinazolin-4-yl]amino]phenol
CID 2174842
6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 719283
4-[[4-(4-Methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol;hydrochloride
CID 2929712
CID 2952131
CID 2952131
4-(4-Pyrrolidin-1-yl-quinazolin-2-ylamino)-phenol
CID 6602552
4-{[2-(4-Methylphenyl)quinazolin-4-yl]amino}phenol
CID 700720
2-{(6Z)-6-[(4-chlorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
CID 719255

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol?
The IUPAC name of 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol (CID 693201) is 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol is Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol?
The InChIKey is ULNISCUYEQNWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(24-19)22-15-9-11-16(25)12-10-15/h1-12,25H,(H,22,23,24).
What are the key properties of 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol?
4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol has a molecular weight of 347.81 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 693201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).