1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol

C21H18N4O — CID 4779630

IUPAC1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
SMILESOC(CNc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H18N4O/c26-19(15-7-2-1-3-8-15)14-23-21-17-10-4-5-11-18(17)24-20(25-21)16-9-6-12-22-13-16/h1-13,19,26H,14H2,(H,23,24,25)
InChIKeyHKHVMNDUQXYNBE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.84
Rot. Bonds5

About 1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol

1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol (PubChem CID 4779630) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
PubChem CID4779630
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
SMILESOC(CNc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H18N4O/c26-19(15-7-2-1-3-8-15)14-23-21-17-10-4-5-11-18(17)24-20(25-21)16-9-6-12-22-13-16/h1-13,19,26H,14H2,(H,23,24,25)
InChIKeyHKHVMNDUQXYNBE-UHFFFAOYSA-N
XLogP3.84
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol?
The IUPAC name of 1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol (CID 4779630) is 1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol is OC(CNc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol?
The InChIKey is HKHVMNDUQXYNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-19(15-7-2-1-3-8-15)14-23-21-17-10-4-5-11-18(17)24-20(25-21)16-9-6-12-22-13-16/h1-13,19,26H,14H2,(H,23,24,25).
What are the key properties of 1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol?
1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol has a molecular weight of 342.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 4779630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).