2-[butyl(quinazolin-4-yl)amino]ethanol

C14H19N3O — CID 61448133

IUPAC2-[butyl(quinazolin-4-yl)amino]ethanol
SMILESCCCCN(CCO)c1ncnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-2-3-8-17(9-10-18)14-12-6-4-5-7-13(12)15-11-16-14/h4-7,11,18H,2-3,8-10H2,1H3
InChIKeyCGRUUIIVAHFRIS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.23
Rot. Bonds6

About 2-[butyl(quinazolin-4-yl)amino]ethanol

2-[butyl(quinazolin-4-yl)amino]ethanol (PubChem CID 61448133) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[butyl(quinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl(quinazolin-4-yl)amino]ethanol
PubChem CID61448133
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[butyl(quinazolin-4-yl)amino]ethanol
SMILESCCCCN(CCO)c1ncnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-2-3-8-17(9-10-18)14-12-6-4-5-7-13(12)15-11-16-14/h4-7,11,18H,2-3,8-10H2,1H3
InChIKeyCGRUUIIVAHFRIS-UHFFFAOYSA-N
XLogP2.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(quinazolin-4-yl)amino]ethanol?
The IUPAC name of 2-[butyl(quinazolin-4-yl)amino]ethanol (CID 61448133) is 2-[butyl(quinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[butyl(quinazolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[butyl(quinazolin-4-yl)amino]ethanol is CCCCN(CCO)c1ncnc2ccccc12.
What is the InChIKey of 2-[butyl(quinazolin-4-yl)amino]ethanol?
The InChIKey is CGRUUIIVAHFRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-8-17(9-10-18)14-12-6-4-5-7-13(12)15-11-16-14/h4-7,11,18H,2-3,8-10H2,1H3.
What are the key properties of 2-[butyl(quinazolin-4-yl)amino]ethanol?
2-[butyl(quinazolin-4-yl)amino]ethanol has a molecular weight of 245.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(quinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 61448133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).