[2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone

C20H17Cl2N3O — CID 57329925

IUPAC[2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone
SMILESO=C(c1nc2ccccc2nc1Cl)N1CCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C20H17Cl2N3O/c21-14-6-3-5-13(11-14)12-15-7-4-10-25(15)20(26)18-19(22)24-17-9-2-1-8-16(17)23-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyCRIVESVUUHHDEL-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.78
Rot. Bonds3

About [2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone

[2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone (PubChem CID 57329925) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone
PubChem CID57329925
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name[2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone
SMILESO=C(c1nc2ccccc2nc1Cl)N1CCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C20H17Cl2N3O/c21-14-6-3-5-13(11-14)12-15-7-4-10-25(15)20(26)18-19(22)24-17-9-2-1-8-16(17)23-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyCRIVESVUUHHDEL-UHFFFAOYSA-N
XLogP4.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone?
The IUPAC name of [2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone (CID 57329925) is [2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone?
The canonical SMILES for [2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone is O=C(c1nc2ccccc2nc1Cl)N1CCCC1Cc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone?
The InChIKey is CRIVESVUUHHDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-14-6-3-5-13(11-14)12-15-7-4-10-25(15)20(26)18-19(22)24-17-9-2-1-8-16(17)23-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2.
What are the key properties of [2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone?
[2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone has a molecular weight of 386.28 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-(3-chloroquinoxalin-2-yl)methanone is sourced from PubChem (CID 57329925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).