1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol

C14H17N3O3 — CID 21487876

IUPAC1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
SMILESCOc1cc2ncnc(N3CCC(O)C3)c2cc1OC
InChIInChI=1S/C14H17N3O3/c1-19-12-5-10-11(6-13(12)20-2)15-8-16-14(10)17-4-3-9(18)7-17/h5-6,8-9,18H,3-4,7H2,1-2H3
InChIKeyUQPTYTXPUASFIN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.22
Rot. Bonds3

About 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol

1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol (PubChem CID 21487876) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
PubChem CID21487876
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
SMILESCOc1cc2ncnc(N3CCC(O)C3)c2cc1OC
InChIInChI=1S/C14H17N3O3/c1-19-12-5-10-11(6-13(12)20-2)15-8-16-14(10)17-4-3-9(18)7-17/h5-6,8-9,18H,3-4,7H2,1-2H3
InChIKeyUQPTYTXPUASFIN-UHFFFAOYSA-N
XLogP1.22
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol (CID 21487876) is 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol is COc1cc2ncnc(N3CCC(O)C3)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol?
The InChIKey is UQPTYTXPUASFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-12-5-10-11(6-13(12)20-2)15-8-16-14(10)17-4-3-9(18)7-17/h5-6,8-9,18H,3-4,7H2,1-2H3.
What are the key properties of 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol?
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol has a molecular weight of 275.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 21487876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).