ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid

C23H26N6O2 — CID 123220398

IUPACethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid
SMILESCCN(C(=O)O)[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C23H26N6O2/c1-2-29(23(30)31)18-9-12-27(15-18)22-21(24-10-11-25-22)17-13-28(14-17)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,17-18H,2,9,12-15H2,1H3,(H,30,31)/t18-/m1/s1
InChIKeyBFIDLZHQOLUFJR-GOSISDBHSA-N
MW418.50 g/mol
LogP3.21
Rot. Bonds5

About ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid

ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid (PubChem CID 123220398) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Nameethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid
PubChem CID123220398
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Nameethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid
SMILESCCN(C(=O)O)[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C23H26N6O2/c1-2-29(23(30)31)18-9-12-27(15-18)22-21(24-10-11-25-22)17-13-28(14-17)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,17-18H,2,9,12-15H2,1H3,(H,30,31)/t18-/m1/s1
InChIKeyBFIDLZHQOLUFJR-GOSISDBHSA-N
XLogP3.21
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid with MolForge

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Related Compounds

2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547331
2-methoxy-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]acetamide
CID 58546843
2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 70166868
2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546852
[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate
CID 174701613
2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine
CID 58546722
tert-butyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58547533
N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide
CID 67469083
2-[3-(3-chloropyrazin-2-yl)azetidin-1-yl]quinoline;2-[3-[3-(3-pyridin-3-ylpyrrolidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline;3-pyrrolidin-3-ylpyridine
CID 157086488
methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 58547607
ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67136421
N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
CID 58546915

Frequently Asked Questions

What is the IUPAC name of ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid (CID 123220398) is ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid is CCN(C(=O)O)[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is BFIDLZHQOLUFJR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-2-29(23(30)31)18-9-12-27(15-18)22-21(24-10-11-25-22)17-13-28(14-17)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,17-18H,2,9,12-15H2,1H3,(H,30,31)/t18-/m1/s1.
What are the key properties of ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid?
ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid has a molecular weight of 418.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 123220398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).