[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone

C17H19N3O2 — CID 121197527

IUPAC[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C17H19N3O2/c21-17(13-3-4-15-16(9-13)19-7-6-18-15)20-8-5-14(10-20)22-11-12-1-2-12/h3-4,6-7,9,12,14H,1-2,5,8,10-11H2
InChIKeyOXGYKLYDEDYMFM-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.27
Rot. Bonds4

About [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 121197527) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID121197527
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C17H19N3O2/c21-17(13-3-4-15-16(9-13)19-7-6-18-15)20-8-5-14(10-20)22-11-12-1-2-12/h3-4,6-7,9,12,14H,1-2,5,8,10-11H2
InChIKeyOXGYKLYDEDYMFM-UHFFFAOYSA-N
XLogP2.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129357837
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129452854
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 119105495
[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 129358042
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 121197545
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
1,3-benzodioxol-5-yl-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methanone
CID 129357465
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 121197580

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone (CID 121197527) is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone is O=C(c1ccc2nccnc2c1)N1CCC(OCC2CC2)C1.
What is the InChIKey of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is OXGYKLYDEDYMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(13-3-4-15-16(9-13)19-7-6-18-15)20-8-5-14(10-20)22-11-12-1-2-12/h3-4,6-7,9,12,14H,1-2,5,8,10-11H2.
What are the key properties of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 297.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 121197527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).