3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol

C13H15N3O3 — CID 167874305

IUPAC3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol
SMILESCOc1cccc2c(NCC3(O)COC3)ncnc12
InChIInChI=1S/C13H15N3O3/c1-18-10-4-2-3-9-11(10)15-8-16-12(9)14-5-13(17)6-19-7-13/h2-4,8,17H,5-7H2,1H3,(H,14,15,16)
InChIKeyQJNNGVNUHPSZQM-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.81
Rot. Bonds4

About 3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol

3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol (PubChem CID 167874305) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol
PubChem CID167874305
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol
SMILESCOc1cccc2c(NCC3(O)COC3)ncnc12
InChIInChI=1S/C13H15N3O3/c1-18-10-4-2-3-9-11(10)15-8-16-12(9)14-5-13(17)6-19-7-13/h2-4,8,17H,5-7H2,1H3,(H,14,15,16)
InChIKeyQJNNGVNUHPSZQM-UHFFFAOYSA-N
XLogP0.81
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103334
4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 110432373
8-methoxy-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 39782631
8-methoxyquinazoline-4-carboxylic acid
CID 105455920
1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
CID 131701666
N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide
CID 71471337
N-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410
(8-methoxyquinolin-4-yl)methanol
CID 86714571
4-(8-methoxyquinazolin-4-yl)thiomorpholine
CID 171802301
8-bromo-N-(2-methoxyethyl)quinazolin-4-amine
CID 110431527
N-[4-(2-methoxyphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890166

Frequently Asked Questions

What is the IUPAC name of 3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol?
The IUPAC name of 3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol (CID 167874305) is 3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol.
What is the SMILES notation for 3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol?
The canonical SMILES for 3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol is COc1cccc2c(NCC3(O)COC3)ncnc12.
What is the InChIKey of 3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol?
The InChIKey is QJNNGVNUHPSZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-10-4-2-3-9-11(10)15-8-16-12(9)14-5-13(17)6-19-7-13/h2-4,8,17H,5-7H2,1H3,(H,14,15,16).
What are the key properties of 3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol?
3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol has a molecular weight of 261.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol is sourced from PubChem (CID 167874305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).