2-[4-(benzylamino)quinazolin-2-yl]phenol

C21H17N3O — CID 915456

IUPAC2-[4-(benzylamino)quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H17N3O/c25-19-13-7-5-11-17(19)21-23-18-12-6-4-10-16(18)20(24-21)22-14-15-8-2-1-3-9-15/h1-13,25H,14H2,(H,22,23,24)
InChIKeyCYYDOMYWIALWEL-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.61
Rot. Bonds4

About 2-[4-(benzylamino)quinazolin-2-yl]phenol

2-[4-(benzylamino)quinazolin-2-yl]phenol (PubChem CID 915456) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[4-(benzylamino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(benzylamino)quinazolin-2-yl]phenol
PubChem CID915456
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-[4-(benzylamino)quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H17N3O/c25-19-13-7-5-11-17(19)21-23-18-12-6-4-10-16(18)20(24-21)22-14-15-8-2-1-3-9-15/h1-13,25H,14H2,(H,22,23,24)
InChIKeyCYYDOMYWIALWEL-UHFFFAOYSA-N
XLogP4.61
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylamino)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(benzylamino)quinazolin-2-yl]phenol (CID 915456) is 2-[4-(benzylamino)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(benzylamino)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(benzylamino)quinazolin-2-yl]phenol is Oc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-[4-(benzylamino)quinazolin-2-yl]phenol?
The InChIKey is CYYDOMYWIALWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-19-13-7-5-11-17(19)21-23-18-12-6-4-10-16(18)20(24-21)22-14-15-8-2-1-3-9-15/h1-13,25H,14H2,(H,22,23,24).
What are the key properties of 2-[4-(benzylamino)quinazolin-2-yl]phenol?
2-[4-(benzylamino)quinazolin-2-yl]phenol has a molecular weight of 327.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylamino)quinazolin-2-yl]phenol is sourced from PubChem (CID 915456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).