4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline

C22H25N3O5 — CID 11553351

IUPAC4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1ccc(OC2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)cc1OC
InChIInChI=1S/C22H25N3O5/c1-26-18-6-5-14(9-19(18)27-2)30-15-7-8-25(12-15)22-16-10-20(28-3)21(29-4)11-17(16)23-13-24-22/h5-6,9-11,13,15H,7-8,12H2,1-4H3
InChIKeyLEVUGPXUDZVOIL-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.32
Rot. Bonds7

About 4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline

4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline (PubChem CID 11553351) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
PubChem CID11553351
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1ccc(OC2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)cc1OC
InChIInChI=1S/C22H25N3O5/c1-26-18-6-5-14(9-19(18)27-2)30-15-7-8-25(12-15)22-16-10-20(28-3)21(29-4)11-17(16)23-13-24-22/h5-6,9-11,13,15H,7-8,12H2,1-4H3
InChIKeyLEVUGPXUDZVOIL-UHFFFAOYSA-N
XLogP3.32
TPSA75.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline
CID 57328250
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621
N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997600
[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate
CID 15979763
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline
CID 175670707
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline?
The IUPAC name of 4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline (CID 11553351) is 4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline is COc1ccc(OC2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)cc1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline?
The InChIKey is LEVUGPXUDZVOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-26-18-6-5-14(9-19(18)27-2)30-15-7-8-25(12-15)22-16-10-20(28-3)21(29-4)11-17(16)23-13-24-22/h5-6,9-11,13,15H,7-8,12H2,1-4H3.
What are the key properties of 4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline?
4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline has a molecular weight of 411.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline is sourced from PubChem (CID 11553351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).