6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol

C16H23N3O — CID 163454342

IUPAC6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol
SMILESCc1ccc2c(CCCCCCO)nc(N)nc2c1C
InChIInChI=1S/C16H23N3O/c1-11-8-9-13-14(7-5-3-4-6-10-20)18-16(17)19-15(13)12(11)2/h8-9,20H,3-7,10H2,1-2H3,(H2,17,18,19)
InChIKeyBJEIDHNBSOELRU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds6

About 6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol

6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol (PubChem CID 163454342) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol
PubChem CID163454342
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol
SMILESCc1ccc2c(CCCCCCO)nc(N)nc2c1C
InChIInChI=1S/C16H23N3O/c1-11-8-9-13-14(7-5-3-4-6-10-20)18-16(17)19-15(13)12(11)2/h8-9,20H,3-7,10H2,1-2H3,(H2,17,18,19)
InChIKeyBJEIDHNBSOELRU-UHFFFAOYSA-N
XLogP2.92
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol?
The IUPAC name of 6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol (CID 163454342) is 6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol.
What is the SMILES notation for 6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol?
The canonical SMILES for 6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol is Cc1ccc2c(CCCCCCO)nc(N)nc2c1C.
What is the InChIKey of 6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol?
The InChIKey is BJEIDHNBSOELRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-8-9-13-14(7-5-3-4-6-10-20)18-16(17)19-15(13)12(11)2/h8-9,20H,3-7,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol?
6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-7,8-dimethylquinazolin-4-yl)hexan-1-ol is sourced from PubChem (CID 163454342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).