2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide

C23H26N6O2 — CID 58546843

IUPAC2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide
SMILESCOCC(=O)NC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C23H26N6O2/c1-31-15-21(30)26-18-8-11-28(14-18)23-22(24-9-10-25-23)17-12-29(13-17)20-7-6-16-4-2-3-5-19(16)27-20/h2-7,9-10,17-18H,8,11-15H2,1H3,(H,26,30)
InChIKeyQKAPINLFNUTVST-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.97
Rot. Bonds6

About 2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide

2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide (PubChem CID 58546843) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide
PubChem CID58546843
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide
SMILESCOCC(=O)NC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C23H26N6O2/c1-31-15-21(30)26-18-8-11-28(14-18)23-22(24-9-10-25-23)17-12-29(13-17)20-7-6-16-4-2-3-5-19(16)27-20/h2-7,9-10,17-18H,8,11-15H2,1H3,(H,26,30)
InChIKeyQKAPINLFNUTVST-UHFFFAOYSA-N
XLogP1.97
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid
CID 123220398
2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547331
2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546852
2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 70166868
[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate
CID 174701613
tert-butyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58547533
methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 58547607
2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine
CID 58546722
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide
CID 177199225
4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
CID 58546781
N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide
CID 67469083
1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide (CID 58546843) is 2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide is COCC(=O)NC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of 2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is QKAPINLFNUTVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-31-15-21(30)26-18-8-11-28(14-18)23-22(24-9-10-25-23)17-12-29(13-17)20-7-6-16-4-2-3-5-19(16)27-20/h2-7,9-10,17-18H,8,11-15H2,1H3,(H,26,30).
What are the key properties of 2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide?
2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 58546843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).