2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol

C22H18N4O2 — CID 3089339

IUPAC2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol
SMILESCC(=NNc1nc(-c2ccccc2O)nc2ccccc12)c1ccccc1O
InChIInChI=1S/C22H18N4O2/c1-14(15-8-3-6-12-19(15)27)25-26-22-16-9-2-5-11-18(16)23-21(24-22)17-10-4-7-13-20(17)28/h2-13,27-28H,1H3,(H,23,24,26)
InChIKeyQRELKMGWOQXSRT-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.54
Rot. Bonds4

About 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol

2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol (PubChem CID 3089339) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol
PubChem CID3089339
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol
SMILESCC(=NNc1nc(-c2ccccc2O)nc2ccccc12)c1ccccc1O
InChIInChI=1S/C22H18N4O2/c1-14(15-8-3-6-12-19(15)27)25-26-22-16-9-2-5-11-18(16)23-21(24-22)17-10-4-7-13-20(17)28/h2-13,27-28H,1H3,(H,23,24,26)
InChIKeyQRELKMGWOQXSRT-UHFFFAOYSA-N
XLogP4.54
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566381
3-[(2-Phenylquinazolin-4-yl)amino]phenol
CID 693197
4-[(2-Phenyl-4-quinazolinyl)amino]phenol
CID 693198
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
4-[[2-(2-Fluorophenyl)quinazolin-4-yl]amino]phenol
CID 2174842
2-[4-(1-Pyrrolidinyl)-2-quinazolinyl]phenol
CID 781262
6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 719283
CID 2952131
CID 2952131
4-{[2-(4-Methylphenyl)quinazolin-4-yl]amino}phenol
CID 700720
(6E)-6-[4-(4-hydroxyanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 951145
2-{(4E)-4-[(2-hydroxyphenyl)imino]-3,4-dihydroquinazolin-2-yl}phenol
CID 951478

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol (CID 3089339) is 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol is CC(=NNc1nc(-c2ccccc2O)nc2ccccc12)c1ccccc1O.
What is the InChIKey of 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol?
The InChIKey is QRELKMGWOQXSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14(15-8-3-6-12-19(15)27)25-26-22-16-9-2-5-11-18(16)23-21(24-22)17-10-4-7-13-20(17)28/h2-13,27-28H,1H3,(H,23,24,26).
What are the key properties of 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol?
2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol has a molecular weight of 370.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol is sourced from PubChem (CID 3089339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).