2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol

C13H17N3O3 — CID 21003121

IUPAC2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol
SMILESCOc1ccc2c(NCCOCCO)ncnc2c1
InChIInChI=1S/C13H17N3O3/c1-18-10-2-3-11-12(8-10)15-9-16-13(11)14-4-6-19-7-5-17/h2-3,8-9,17H,4-7H2,1H3,(H,14,15,16)
InChIKeyLLJYGYCGSQFGDG-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.06
Rot. Bonds7

About 2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol

2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol (PubChem CID 21003121) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol
PubChem CID21003121
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol
SMILESCOc1ccc2c(NCCOCCO)ncnc2c1
InChIInChI=1S/C13H17N3O3/c1-18-10-2-3-11-12(8-10)15-9-16-13(11)14-4-6-19-7-5-17/h2-3,8-9,17H,4-7H2,1H3,(H,14,15,16)
InChIKeyLLJYGYCGSQFGDG-UHFFFAOYSA-N
XLogP1.06
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
CID 7140376
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
2-[2-[(6-ethylquinazolin-4-yl)amino]ethoxy]ethanol
CID 21002673
N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine
CID 21003124
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
7-methoxy-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003056
2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
CID 28850882
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
CID 60701626
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
N-[2-(2-chloroethoxy)ethyl]-6-methoxyisoquinolin-1-amine
CID 106542673
4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
CID 63263517

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol (CID 21003121) is 2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol is COc1ccc2c(NCCOCCO)ncnc2c1.
What is the InChIKey of 2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol?
The InChIKey is LLJYGYCGSQFGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-10-2-3-11-12(8-10)15-9-16-13(11)14-4-6-19-7-5-17/h2-3,8-9,17H,4-7H2,1H3,(H,14,15,16).
What are the key properties of 2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol?
2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol has a molecular weight of 263.30 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 21003121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).