2-[4-(2-chloroanilino)quinazolin-2-yl]phenol

C20H14ClN3O — CID 719283

IUPAC2-[4-(2-chloroanilino)quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C20H14ClN3O/c21-15-9-3-5-11-17(15)23-19-13-7-1-4-10-16(13)22-20(24-19)14-8-2-6-12-18(14)25/h1-12,25H,(H,22,23,24)
InChIKeyGSYZTHAJOOZUCI-UHFFFAOYSA-N
MW347.81 g/mol
LogP5.40
Rot. Bonds3

About 2-[4-(2-chloroanilino)quinazolin-2-yl]phenol

2-[4-(2-chloroanilino)quinazolin-2-yl]phenol (PubChem CID 719283) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-[4-(2-chloroanilino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-chloroanilino)quinazolin-2-yl]phenol
PubChem CID719283
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name2-[4-(2-chloroanilino)quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C20H14ClN3O/c21-15-9-3-5-11-17(15)23-19-13-7-1-4-10-16(13)22-20(24-19)14-8-2-6-12-18(14)25/h1-12,25H,(H,22,23,24)
InChIKeyGSYZTHAJOOZUCI-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

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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-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566381
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
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
4-[[2-(2-Fluorophenyl)quinazolin-4-yl]amino]phenol
CID 2174842
2-[4-(1-Pyrrolidinyl)-2-quinazolinyl]phenol
CID 781262
CID 2952131
CID 2952131
4-{[2-(4-Methylphenyl)quinazolin-4-yl]amino}phenol
CID 700720
2-[4-(2-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719253

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroanilino)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(2-chloroanilino)quinazolin-2-yl]phenol (CID 719283) is 2-[4-(2-chloroanilino)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2-chloroanilino)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(2-chloroanilino)quinazolin-2-yl]phenol is Oc1ccccc1-c1nc(Nc2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of 2-[4-(2-chloroanilino)quinazolin-2-yl]phenol?
The InChIKey is GSYZTHAJOOZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-15-9-3-5-11-17(15)23-19-13-7-1-4-10-16(13)22-20(24-19)14-8-2-6-12-18(14)25/h1-12,25H,(H,22,23,24).
What are the key properties of 2-[4-(2-chloroanilino)quinazolin-2-yl]phenol?
2-[4-(2-chloroanilino)quinazolin-2-yl]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 2-[4-(2-chloroanilino)quinazolin-2-yl]phenol is sourced from PubChem (CID 719283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).