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

C20H16N4O — CID 24626581

IUPAC[3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol
SMILESOCc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C20H16N4O/c25-13-14-4-3-5-16(12-14)22-20-17-6-1-2-7-18(17)23-19(24-20)15-8-10-21-11-9-15/h1-12,25H,13H2,(H,22,23,24)
InChIKeyIJUWDVDGELWHAX-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.93
Rot. Bonds4

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

[3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol (PubChem CID 24626581) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is [3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol
PubChem CID24626581
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name[3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol
SMILESOCc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C20H16N4O/c25-13-14-4-3-5-16(12-14)22-20-17-6-1-2-7-18(17)23-19(24-20)15-8-10-21-11-9-15/h1-12,25H,13H2,(H,22,23,24)
InChIKeyIJUWDVDGELWHAX-UHFFFAOYSA-N
XLogP3.93
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol?
The IUPAC name of [3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol (CID 24626581) is [3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol is OCc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of [3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol?
The InChIKey is IJUWDVDGELWHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-13-14-4-3-5-16(12-14)22-20-17-6-1-2-7-18(17)23-19(24-20)15-8-10-21-11-9-15/h1-12,25H,13H2,(H,22,23,24).
What are the key properties of [3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol?
[3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol has a molecular weight of 328.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 24626581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).