2-[(4-aminoquinazolin-2-yl)amino]phenol

C14H12N4O — CID 962719

IUPAC2-[(4-aminoquinazolin-2-yl)amino]phenol
SMILESNc1nc(Nc2ccccc2O)nc2ccccc12
InChIInChI=1S/C14H12N4O/c15-13-9-5-1-2-6-10(9)16-14(18-13)17-11-7-3-4-8-12(11)19/h1-8,19H,(H3,15,16,17,18)
InChIKeyRPVQDRQYSCDSPT-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.66
Rot. Bonds2

About 2-[(4-aminoquinazolin-2-yl)amino]phenol

2-[(4-aminoquinazolin-2-yl)amino]phenol (PubChem CID 962719) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[(4-aminoquinazolin-2-yl)amino]phenol.

Molecular Properties

Compound Name2-[(4-aminoquinazolin-2-yl)amino]phenol
PubChem CID962719
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-[(4-aminoquinazolin-2-yl)amino]phenol
SMILESNc1nc(Nc2ccccc2O)nc2ccccc12
InChIInChI=1S/C14H12N4O/c15-13-9-5-1-2-6-10(9)16-14(18-13)17-11-7-3-4-8-12(11)19/h1-8,19H,(H3,15,16,17,18)
InChIKeyRPVQDRQYSCDSPT-UHFFFAOYSA-N
XLogP2.66
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminoquinazolin-2-yl)amino]phenol?
The IUPAC name of 2-[(4-aminoquinazolin-2-yl)amino]phenol (CID 962719) is 2-[(4-aminoquinazolin-2-yl)amino]phenol.
What is the SMILES notation for 2-[(4-aminoquinazolin-2-yl)amino]phenol?
The canonical SMILES for 2-[(4-aminoquinazolin-2-yl)amino]phenol is Nc1nc(Nc2ccccc2O)nc2ccccc12.
What is the InChIKey of 2-[(4-aminoquinazolin-2-yl)amino]phenol?
The InChIKey is RPVQDRQYSCDSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-13-9-5-1-2-6-10(9)16-14(18-13)17-11-7-3-4-8-12(11)19/h1-8,19H,(H3,15,16,17,18).
What are the key properties of 2-[(4-aminoquinazolin-2-yl)amino]phenol?
2-[(4-aminoquinazolin-2-yl)amino]phenol has a molecular weight of 252.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminoquinazolin-2-yl)amino]phenol is sourced from PubChem (CID 962719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).