3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol

C19H20N4O2 — CID 644989

IUPAC3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol
SMILESOc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4O2/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H2,20,21,22,23)
InChIKeyPEQMTEMWXRAERG-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.67
Rot. Bonds5

About 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol

3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol (PubChem CID 644989) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol
PubChem CID644989
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol
SMILESOc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4O2/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H2,20,21,22,23)
InChIKeyPEQMTEMWXRAERG-UHFFFAOYSA-N
XLogP3.67
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]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-(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
2-[4-(1-Pyrrolidinyl)-2-quinazolinyl]phenol
CID 781262
2-Aminoquinazoline 25
CID 135402986
6-[(2,5-Dimethoxyanilino)methyl]quinazoline-2,4-diamine
CID 457340
5-[(2,5-Dimethoxyanilino)methyl]quinazoline-2,4-diamine
CID 490665
6-[4-(1-phenylethylamino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
CID 2884035
2-(Benzylamino)-4-methylquinolin-7-ol
CID 135857476
3-[[4-(Benzylamino)quinazolin-2-yl]amino]phenol
CID 962695
2-[2-(3-Methoxy-phenylamino)-quinazolin-4-ylamino]-ethanol
CID 2142796
2-[[4-(Cyclopentylamino)quinazolin-2-yl]amino]phenol
CID 2229279

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol (CID 644989) is 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol is Oc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1.
What is the InChIKey of 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol?
The InChIKey is PEQMTEMWXRAERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H2,20,21,22,23).
What are the key properties of 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol?
3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol has a molecular weight of 336.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 644989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).