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

C18H19N3O — CID 53385735

IUPAC1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol
SMILESCN(C)c1ccc(C(C)(O)c2ncnc3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-18(22,13-8-10-14(11-9-13)21(2)3)17-15-6-4-5-7-16(15)19-12-20-17/h4-12,22H,1-3H3
InChIKeyIVUQUIOWRXOASA-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.95
Rot. Bonds3

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

1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol (PubChem CID 53385735) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol
PubChem CID53385735
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol
SMILESCN(C)c1ccc(C(C)(O)c2ncnc3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-18(22,13-8-10-14(11-9-13)21(2)3)17-15-6-4-5-7-16(15)19-12-20-17/h4-12,22H,1-3H3
InChIKeyIVUQUIOWRXOASA-UHFFFAOYSA-N
XLogP2.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol (CID 53385735) is 1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol is CN(C)c1ccc(C(C)(O)c2ncnc3ccccc23)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol?
The InChIKey is IVUQUIOWRXOASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(22,13-8-10-14(11-9-13)21(2)3)17-15-6-4-5-7-16(15)19-12-20-17/h4-12,22H,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol?
1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol has a molecular weight of 293.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-1-quinazolin-4-ylethanol is sourced from PubChem (CID 53385735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).