2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol

C16H22N4O — CID 65336641

IUPAC2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol
SMILESNc1ccc2c(N(CCO)C3CCCCC3)ncnc2c1
InChIInChI=1S/C16H22N4O/c17-12-6-7-14-15(10-12)18-11-19-16(14)20(8-9-21)13-4-2-1-3-5-13/h6-7,10-11,13,21H,1-5,8-9,17H2
InChIKeyUNTHQAMRICDBPN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.34
Rot. Bonds4

About 2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol

2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol (PubChem CID 65336641) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol
PubChem CID65336641
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol
SMILESNc1ccc2c(N(CCO)C3CCCCC3)ncnc2c1
InChIInChI=1S/C16H22N4O/c17-12-6-7-14-15(10-12)18-11-19-16(14)20(8-9-21)13-4-2-1-3-5-13/h6-7,10-11,13,21H,1-5,8-9,17H2
InChIKeyUNTHQAMRICDBPN-UHFFFAOYSA-N
XLogP2.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol (CID 65336641) is 2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol is Nc1ccc2c(N(CCO)C3CCCCC3)ncnc2c1.
What is the InChIKey of 2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol?
The InChIKey is UNTHQAMRICDBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-12-6-7-14-15(10-12)18-11-19-16(14)20(8-9-21)13-4-2-1-3-5-13/h6-7,10-11,13,21H,1-5,8-9,17H2.
What are the key properties of 2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol?
2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol is sourced from PubChem (CID 65336641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).