1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C17H22N2O2 — CID 118078912

IUPAC1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(C(=O)C2CCCC2)C[C@@H]1C
InChIInChI=1S/C17H22N2O2/c1-12-11-18(17(21)14-7-3-4-8-14)15-9-5-6-10-16(15)19(12)13(2)20/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3/t12-/m0/s1
InChIKeyBUJVVMBJKZVXOR-LBPRGKRZSA-N
MW286.38 g/mol
LogP2.96
Rot. Bonds1

About 1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 118078912) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID118078912
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(C(=O)C2CCCC2)C[C@@H]1C
InChIInChI=1S/C17H22N2O2/c1-12-11-18(17(21)14-7-3-4-8-14)15-9-5-6-10-16(15)19(12)13(2)20/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3/t12-/m0/s1
InChIKeyBUJVVMBJKZVXOR-LBPRGKRZSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24790190
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CID 942074
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CID 71559522
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CID 123146482
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CID 123814574
CID 123814574
CID 660400
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CID 948802
CID 948802

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 118078912) is 1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccccc2N(C(=O)C2CCCC2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is BUJVVMBJKZVXOR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-11-18(17(21)14-7-3-4-8-14)15-9-5-6-10-16(15)19(12)13(2)20/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 286.38 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 118078912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).