[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate

C24H28N6O2 — CID 174701613

IUPAC[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C24H28N6O2/c1-24(2,3)28-23(31)32-18-14-30(15-18)22-21(25-10-11-26-22)17-12-29(13-17)20-9-8-16-6-4-5-7-19(16)27-20/h4-11,17-18H,12-15H2,1-3H3,(H,28,31)
InChIKeySEKDXKKLDMKEBM-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.34
Rot. Bonds4

About [1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate

[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate (PubChem CID 174701613) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is [1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate
PubChem CID174701613
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C24H28N6O2/c1-24(2,3)28-23(31)32-18-14-30(15-18)22-21(25-10-11-26-22)17-12-29(13-17)20-9-8-16-6-4-5-7-19(16)27-20/h4-11,17-18H,12-15H2,1-3H3,(H,28,31)
InChIKeySEKDXKKLDMKEBM-UHFFFAOYSA-N
XLogP3.34
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-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
tert-butyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58547533
2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine
CID 58546722
ethyl-[(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamic acid
CID 123220398
methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 58547607
2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 70166868
1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate
CID 58547859
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547501
2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile
CID 54675484

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate?
The IUPAC name of [1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate (CID 174701613) is [1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of [1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate?
The InChIKey is SEKDXKKLDMKEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-24(2,3)28-23(31)32-18-14-30(15-18)22-21(25-10-11-26-22)17-12-29(13-17)20-9-8-16-6-4-5-7-19(16)27-20/h4-11,17-18H,12-15H2,1-3H3,(H,28,31).
What are the key properties of [1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate?
[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate has a molecular weight of 432.53 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174701613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).