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

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Related Compounds

(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621
4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 11553351
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997600
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283

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).