1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol

C17H17N3O — CID 53385736

IUPAC1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol
SMILESCNc1ccc(C(C)(O)c2ncnc3ccccc23)cc1
InChIInChI=1S/C17H17N3O/c1-17(21,12-7-9-13(18-2)10-8-12)16-14-5-3-4-6-15(14)19-11-20-16/h3-11,18,21H,1-2H3
InChIKeyJMNOMTQAYXZADJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.93
Rot. Bonds3

About 1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol

1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol (PubChem CID 53385736) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol.

Molecular Properties

Compound Name1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol
PubChem CID53385736
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol
SMILESCNc1ccc(C(C)(O)c2ncnc3ccccc23)cc1
InChIInChI=1S/C17H17N3O/c1-17(21,12-7-9-13(18-2)10-8-12)16-14-5-3-4-6-15(14)19-11-20-16/h3-11,18,21H,1-2H3
InChIKeyJMNOMTQAYXZADJ-UHFFFAOYSA-N
XLogP2.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol?
The IUPAC name of 1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol (CID 53385736) is 1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol.
What is the SMILES notation for 1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol?
The canonical SMILES for 1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol is CNc1ccc(C(C)(O)c2ncnc3ccccc23)cc1.
What is the InChIKey of 1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol?
The InChIKey is JMNOMTQAYXZADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-17(21,12-7-9-13(18-2)10-8-12)16-14-5-3-4-6-15(14)19-11-20-16/h3-11,18,21H,1-2H3.
What are the key properties of 1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol?
1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol has a molecular weight of 279.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)phenyl]-1-quinazolin-4-ylethanol is sourced from PubChem (CID 53385736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).