2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol

C18H20N4O — CID 135874563

IUPAC2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol
SMILESCC(C)(CN)Nc1nc(-c2ccccc2O)nc2ccccc12
InChIInChI=1S/C18H20N4O/c1-18(2,11-19)22-17-12-7-3-5-9-14(12)20-16(21-17)13-8-4-6-10-15(13)23/h3-10,23H,11,19H2,1-2H3,(H,20,21,22)
InChIKeyNQJJOSYUZFYKHV-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.15
Rot. Bonds4

About 2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol

2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol (PubChem CID 135874563) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol
PubChem CID135874563
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol
SMILESCC(C)(CN)Nc1nc(-c2ccccc2O)nc2ccccc12
InChIInChI=1S/C18H20N4O/c1-18(2,11-19)22-17-12-7-3-5-9-14(12)20-16(21-17)13-8-4-6-10-15(13)23/h3-10,23H,11,19H2,1-2H3,(H,20,21,22)
InChIKeyNQJJOSYUZFYKHV-UHFFFAOYSA-N
XLogP3.15
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1-amino-2-methylpropan-2-yl)amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol (CID 135874563) is 2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol is CC(C)(CN)Nc1nc(-c2ccccc2O)nc2ccccc12.
What is the InChIKey of 2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol?
The InChIKey is NQJJOSYUZFYKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-18(2,11-19)22-17-12-7-3-5-9-14(12)20-16(21-17)13-8-4-6-10-15(13)23/h3-10,23H,11,19H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol?
2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol has a molecular weight of 308.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol is sourced from PubChem (CID 135874563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).