[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

C21H20ClN3O — CID 97139854

IUPAC[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CC[C@H](c4ccccc4Cl)C3)cc2nc1C
InChIInChI=1S/C21H20ClN3O/c1-13-14(2)24-20-11-15(7-8-19(20)23-13)21(26)25-10-9-16(12-25)17-5-3-4-6-18(17)22/h3-8,11,16H,9-10,12H2,1-2H3/t16-/m0/s1
InChIKeyPXKBSKWSLZTGRI-INIZCTEOSA-N
MW365.86 g/mol
LogP4.53
Rot. Bonds2

About [(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone (PubChem CID 97139854) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is [(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
PubChem CID97139854
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CC[C@H](c4ccccc4Cl)C3)cc2nc1C
InChIInChI=1S/C21H20ClN3O/c1-13-14(2)24-20-11-15(7-8-19(20)23-13)21(26)25-10-9-16(12-25)17-5-3-4-6-18(17)22/h3-8,11,16H,9-10,12H2,1-2H3/t16-/m0/s1
InChIKeyPXKBSKWSLZTGRI-INIZCTEOSA-N
XLogP4.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
[3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110618204
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 45207852
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108547358
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
CID 136549756

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The IUPAC name of [(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone (CID 97139854) is [(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone.
What is the SMILES notation for [(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The canonical SMILES for [(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone is Cc1nc2ccc(C(=O)N3CC[C@H](c4ccccc4Cl)C3)cc2nc1C.
What is the InChIKey of [(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The InChIKey is PXKBSKWSLZTGRI-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-13-14(2)24-20-11-15(7-8-19(20)23-13)21(26)25-10-9-16(12-25)17-5-3-4-6-18(17)22/h3-8,11,16H,9-10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of [(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone has a molecular weight of 365.86 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone is sourced from PubChem (CID 97139854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).