7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline

C23H22FN5O3 — CID 57328250

IUPAC7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline
SMILESCOc1cc2c(N3CC[C@@H](Oc4cnc5ccccc5n4)C3)ncnc2cc1OCC[18F]
InChIInChI=1S/C23H22FN5O3/c1-30-20-10-16-19(11-21(20)31-9-7-24)26-14-27-23(16)29-8-6-15(13-29)32-22-12-25-17-4-2-3-5-18(17)28-22/h2-5,10-12,14-15H,6-9,13H2,1H3/t15-/m1/s1/i24-1
InChIKeyWBPLOBPIFNFJOL-YKRUAOJISA-N
MW434.46 g/mol
LogP3.59
Rot. Bonds7

About 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline

7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline (PubChem CID 57328250) has the molecular formula C23H22FN5O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline
PubChem CID57328250
Molecular FormulaC23H22FN5O3
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC Name7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline
SMILESCOc1cc2c(N3CC[C@@H](Oc4cnc5ccccc5n4)C3)ncnc2cc1OCC[18F]
InChIInChI=1S/C23H22FN5O3/c1-30-20-10-16-19(11-21(20)31-9-7-24)26-14-27-23(16)29-8-6-15(13-29)32-22-12-25-17-4-2-3-5-18(17)28-22/h2-5,10-12,14-15H,6-9,13H2,1H3/t15-/m1/s1/i24-1
InChIKeyWBPLOBPIFNFJOL-YKRUAOJISA-N
XLogP3.59
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline with MolForge

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Related Compounds

CID 69471321
CID 69471321
4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 11553351
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621
[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate
CID 15979763
2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol
CID 158080635
7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline
CID 11545321
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole
CID 11689657
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 154575992

Frequently Asked Questions

What is the IUPAC name of 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline?
The IUPAC name of 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline (CID 57328250) is 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline?
The canonical SMILES for 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline is COc1cc2c(N3CC[C@@H](Oc4cnc5ccccc5n4)C3)ncnc2cc1OCC[18F].
What is the InChIKey of 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline?
The InChIKey is WBPLOBPIFNFJOL-YKRUAOJISA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-30-20-10-16-19(11-21(20)31-9-7-24)26-14-27-23(16)29-8-6-15(13-29)32-22-12-25-17-4-2-3-5-18(17)28-22/h2-5,10-12,14-15H,6-9,13H2,1H3/t15-/m1/s1/i24-1.
What are the key properties of 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline?
7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline has a molecular weight of 434.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 57328250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).