ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate

C24H28N6O2 — CID 58546780

IUPACethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCCOC(=O)N(C)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C24H28N6O2/c1-3-32-24(31)28(2)19-10-13-29(16-19)23-22(25-11-12-26-23)18-14-30(15-18)21-9-8-17-6-4-5-7-20(17)27-21/h4-9,11-12,18-19H,3,10,13-16H2,1-2H3
InChIKeyJWMUJLIMKCOSBC-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.30
Rot. Bonds5

About ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate

ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate (PubChem CID 58546780) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
PubChem CID58546780
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Nameethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCCOC(=O)N(C)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C24H28N6O2/c1-3-32-24(31)28(2)19-10-13-29(16-19)23-22(25-11-12-26-23)18-14-30(15-18)21-9-8-17-6-4-5-7-20(17)27-21/h4-9,11-12,18-19H,3,10,13-16H2,1-2H3
InChIKeyJWMUJLIMKCOSBC-UHFFFAOYSA-N
XLogP3.30
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate (CID 58546780) is ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate is CCOC(=O)N(C)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is JWMUJLIMKCOSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-32-24(31)28(2)19-10-13-29(16-19)23-22(25-11-12-26-23)18-14-30(15-18)21-9-8-17-6-4-5-7-20(17)27-21/h4-9,11-12,18-19H,3,10,13-16H2,1-2H3.
What are the key properties of ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 432.53 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 58546780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).