[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate

C24H27N5O5 — CID 15979763

IUPAC[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate
SMILESCOc1cc2ncnc(N3CCC(OC(=O)Nc4ccc(OC5CCC5)nc4)C3)c2cc1OC
InChIInChI=1S/C24H27N5O5/c1-31-20-10-18-19(11-21(20)32-2)26-14-27-23(18)29-9-8-17(13-29)34-24(30)28-15-6-7-22(25-12-15)33-16-4-3-5-16/h6-7,10-12,14,16-17H,3-5,8-9,13H2,1-2H3,(H,28,30)
InChIKeyACHREHIXBULSGN-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.80
Rot. Bonds7

About [1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate

[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate (PubChem CID 15979763) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is [1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate.

Molecular Properties

Compound Name[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate
PubChem CID15979763
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC Name[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate
SMILESCOc1cc2ncnc(N3CCC(OC(=O)Nc4ccc(OC5CCC5)nc4)C3)c2cc1OC
InChIInChI=1S/C24H27N5O5/c1-31-20-10-18-19(11-21(20)32-2)26-14-27-23(18)29-9-8-17(13-29)34-24(30)28-15-6-7-22(25-12-15)33-16-4-3-5-16/h6-7,10-12,14,16-17H,3-5,8-9,13H2,1-2H3,(H,28,30)
InChIKeyACHREHIXBULSGN-UHFFFAOYSA-N
XLogP3.80
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 11553351
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
2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 58770598
1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 58770603
(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate
CID 159059979
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl) N-phenylcarbamate
CID 169214322
1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea;ethane
CID 143371154
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510

Frequently Asked Questions

What is the IUPAC name of [1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate?
The IUPAC name of [1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate (CID 15979763) is [1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate.
What is the SMILES notation for [1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate?
The canonical SMILES for [1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate is COc1cc2ncnc(N3CCC(OC(=O)Nc4ccc(OC5CCC5)nc4)C3)c2cc1OC.
What is the InChIKey of [1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate?
The InChIKey is ACHREHIXBULSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-31-20-10-18-19(11-21(20)32-2)26-14-27-23(18)29-9-8-17(13-29)34-24(30)28-15-6-7-22(25-12-15)33-16-4-3-5-16/h6-7,10-12,14,16-17H,3-5,8-9,13H2,1-2H3,(H,28,30).
What are the key properties of [1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate?
[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate has a molecular weight of 465.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate is sourced from PubChem (CID 15979763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).