4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile

C21H17N3O2 — CID 91815852

IUPAC4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(Oc3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C21H17N3O2/c22-13-15-5-7-17(8-6-15)21(25)24-12-11-18(14-24)26-20-10-9-16-3-1-2-4-19(16)23-20/h1-10,18H,11-12,14H2
InChIKeyOAHMUZTYSYAYCI-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.40
Rot. Bonds3

About 4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile

4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile (PubChem CID 91815852) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile
PubChem CID91815852
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(Oc3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C21H17N3O2/c22-13-15-5-7-17(8-6-15)21(25)24-12-11-18(14-24)26-20-10-9-16-3-1-2-4-19(16)23-20/h1-10,18H,11-12,14H2
InChIKeyOAHMUZTYSYAYCI-UHFFFAOYSA-N
XLogP3.40
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-morpholin-4-ylphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815867
4-[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]benzonitrile
CID 100631894
4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]benzonitrile
CID 100627350
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815832
pyridin-2-yl-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815849
(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815865
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
4-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]benzonitrile
CID 100617659
1-methyl-3-[(3S)-3-quinolin-2-yloxypyrrolidine-1-carbonyl]pyridin-2-one
CID 100739490
4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzonitrile
CID 121162572
(2-methoxy-3-pyridinyl)-[(3R)-3-quinolin-2-yloxypyrrolidin-1-yl]methanone
CID 124727992
4-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzonitrile
CID 121150315

Frequently Asked Questions

What is the IUPAC name of 4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile?
The IUPAC name of 4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile (CID 91815852) is 4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile.
What is the SMILES notation for 4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile?
The canonical SMILES for 4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile is N#Cc1ccc(C(=O)N2CCC(Oc3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of 4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile?
The InChIKey is OAHMUZTYSYAYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c22-13-15-5-7-17(8-6-15)21(25)24-12-11-18(14-24)26-20-10-9-16-3-1-2-4-19(16)23-20/h1-10,18H,11-12,14H2.
What are the key properties of 4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile?
4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile has a molecular weight of 343.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile is sourced from PubChem (CID 91815852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).