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

C22H20N4O — CID 56729182

IUPAC2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol
SMILESCC(Nc1nc(Nc2ccccc2O)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H20N4O/c1-15(16-9-3-2-4-10-16)23-21-17-11-5-6-12-18(17)24-22(26-21)25-19-13-7-8-14-20(19)27/h2-15,27H,1H3,(H2,23,24,25,26)
InChIKeyAUELGOSEDAMKHO-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.25
Rot. Bonds5

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

2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol (PubChem CID 56729182) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol
PubChem CID56729182
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol
SMILESCC(Nc1nc(Nc2ccccc2O)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H20N4O/c1-15(16-9-3-2-4-10-16)23-21-17-11-5-6-12-18(17)24-22(26-21)25-19-13-7-8-14-20(19)27/h2-15,27H,1H3,(H2,23,24,25,26)
InChIKeyAUELGOSEDAMKHO-UHFFFAOYSA-N
XLogP5.25
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729179
2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729213
2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729221
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol
CID 91963677
2-[(4-aminoquinazolin-2-yl)amino]phenol
CID 962719
2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol
CID 2229279
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966057
2-N,2-N-diethyl-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729230

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol?
The IUPAC name of 2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol (CID 56729182) is 2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol?
The canonical SMILES for 2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol is CC(Nc1nc(Nc2ccccc2O)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol?
The InChIKey is AUELGOSEDAMKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15(16-9-3-2-4-10-16)23-21-17-11-5-6-12-18(17)24-22(26-21)25-19-13-7-8-14-20(19)27/h2-15,27H,1H3,(H2,23,24,25,26).
What are the key properties of 2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol?
2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol has a molecular weight of 356.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 56729182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).