4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol

C22H16N4O — CID 164969444

IUPAC4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol
SMILESOc1ccc(-c2nc(Nc3ccc4c(c3)C=NC4)c3ccccc3n2)cc1
InChIInChI=1S/C22H16N4O/c27-18-9-6-14(7-10-18)21-25-20-4-2-1-3-19(20)22(26-21)24-17-8-5-15-12-23-13-16(15)11-17/h1-11,13,27H,12H2,(H,24,25,26)
InChIKeyCXOQCQHVTNRSLI-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.68
Rot. Bonds3

About 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol

4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol (PubChem CID 164969444) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol
PubChem CID164969444
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol
SMILESOc1ccc(-c2nc(Nc3ccc4c(c3)C=NC4)c3ccccc3n2)cc1
InChIInChI=1S/C22H16N4O/c27-18-9-6-14(7-10-18)21-25-20-4-2-1-3-19(20)22(26-21)24-17-8-5-15-12-23-13-16(15)11-17/h1-11,13,27H,12H2,(H,24,25,26)
InChIKeyCXOQCQHVTNRSLI-UHFFFAOYSA-N
XLogP4.68
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 161474659
N-benzyl-2-[2-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide;methane
CID 161345385
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid;hydrochloride
CID 2894714
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963104
N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 70789702
methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 1187533
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol?
The IUPAC name of 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol (CID 164969444) is 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol.
What is the SMILES notation for 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol?
The canonical SMILES for 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol is Oc1ccc(-c2nc(Nc3ccc4c(c3)C=NC4)c3ccccc3n2)cc1.
What is the InChIKey of 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol?
The InChIKey is CXOQCQHVTNRSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-18-9-6-14(7-10-18)21-25-20-4-2-1-3-19(20)22(26-21)24-17-8-5-15-12-23-13-16(15)11-17/h1-11,13,27H,12H2,(H,24,25,26).
What are the key properties of 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol?
4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol has a molecular weight of 352.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol is sourced from PubChem (CID 164969444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).