2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol

C22H18N4O — CID 135442994

IUPAC2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol
SMILESC/C(=N\Nc1nc(-c2ccccc2O)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H18N4O/c1-15(16-9-3-2-4-10-16)25-26-22-17-11-5-7-13-19(17)23-21(24-22)18-12-6-8-14-20(18)27/h2-14,27H,1H3,(H,23,24,26)/b25-15+
InChIKeyBDBNJWCYWCMUOI-MFKUBSTISA-N
MW354.41 g/mol
LogP4.84
Rot. Bonds4

About 2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol

2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol (PubChem CID 135442994) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol
PubChem CID135442994
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol
SMILESC/C(=N\Nc1nc(-c2ccccc2O)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H18N4O/c1-15(16-9-3-2-4-10-16)25-26-22-17-11-5-7-13-19(17)23-21(24-22)18-12-6-8-14-20(18)27/h2-14,27H,1H3,(H,23,24,26)/b25-15+
InChIKeyBDBNJWCYWCMUOI-MFKUBSTISA-N
XLogP4.84
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
4-[[4-(4-Methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol;hydrochloride
CID 2929712
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol (CID 135442994) is 2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol is C/C(=N\Nc1nc(-c2ccccc2O)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol?
The InChIKey is BDBNJWCYWCMUOI-MFKUBSTISA-N. The full InChI is InChI=1S/C22H18N4O/c1-15(16-9-3-2-4-10-16)25-26-22-17-11-5-7-13-19(17)23-21(24-22)18-12-6-8-14-20(18)27/h2-14,27H,1H3,(H,23,24,26)/b25-15+.
What are the key properties of 2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol?
2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol has a molecular weight of 354.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-2-yl]phenol is sourced from PubChem (CID 135442994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).