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

C21H18N4O — CID 127027818

IUPAC1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol
SMILESCC(O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4O/c1-14(26)15-8-10-17(11-9-15)23-21-18-6-2-3-7-19(18)24-20(25-21)16-5-4-12-22-13-16/h2-14,26H,1H3,(H,23,24,25)
InChIKeyZZGJPNKWPLRCPK-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.49
Rot. Bonds4

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

1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol (PubChem CID 127027818) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol
PubChem CID127027818
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol
SMILESCC(O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4O/c1-14(26)15-8-10-17(11-9-15)23-21-18-6-2-3-7-19(18)24-20(25-21)16-5-4-12-22-13-16/h2-14,26H,1H3,(H,23,24,25)
InChIKeyZZGJPNKWPLRCPK-UHFFFAOYSA-N
XLogP4.49
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol (CID 127027818) is 1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol is CC(O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of 1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol?
The InChIKey is ZZGJPNKWPLRCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14(26)15-8-10-17(11-9-15)23-21-18-6-2-3-7-19(18)24-20(25-21)16-5-4-12-22-13-16/h2-14,26H,1H3,(H,23,24,25).
What are the key properties of 1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol?
1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol has a molecular weight of 342.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanol is sourced from PubChem (CID 127027818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).