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

C23H26N6O2 — CID 58546757

IUPACmethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)N(C)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C23H26N6O2/c1-27(23(30)31-2)18-9-12-28(15-18)22-21(24-10-11-25-22)17-13-29(14-17)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,17-18H,9,12-15H2,1-2H3
InChIKeyMVECJPKRCUIDAB-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.91
Rot. Bonds4

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

methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate (PubChem CID 58546757) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
PubChem CID58546757
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Namemethyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)N(C)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C23H26N6O2/c1-27(23(30)31-2)18-9-12-28(15-18)22-21(24-10-11-25-22)17-13-29(14-17)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,17-18H,9,12-15H2,1-2H3
InChIKeyMVECJPKRCUIDAB-UHFFFAOYSA-N
XLogP2.91
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(Pyrazin-2-yl)-3-(quinolin-4-yl)urea
CID 24772168
Carbamic acid, (5-amino-3-phenylpyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
CID 100639
(R)-8-cyclopentyl-7-ethyl-2-(1H-indol-1-yl)-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 58405790
1-((2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-(quinolin-3-yl)urea
CID 71237213
Methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
CID 45255193
2-[3-[3-[3-Fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 54675427
2-[3-[3-(3,4-Difluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 54675429
1-[3-(1-Quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide
CID 54675582
1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 54675584
8-[6-(Dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379536
8-[6-(Dimethylamino)-3-pyridinyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379644
2-[3-[3-(3,4-Dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546751

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate (CID 58546757) is methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate is COC(=O)N(C)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is MVECJPKRCUIDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-27(23(30)31-2)18-9-12-28(15-18)22-21(24-10-11-25-22)17-13-29(14-17)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,17-18H,9,12-15H2,1-2H3.
What are the key properties of methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 418.50 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 58546757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).