N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide

C26H29ClN4O3 — CID 53030036

IUPACN-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
SMILESO=C(CN1C(=O)C2CCCCN2c2ccc(C(=O)N3CCCCC3)cc21)Nc1cccc(Cl)c1
InChIInChI=1S/C26H29ClN4O3/c27-19-7-6-8-20(16-19)28-24(32)17-31-23-15-18(25(33)29-12-3-1-4-13-29)10-11-21(23)30-14-5-2-9-22(30)26(31)34/h6-8,10-11,15-16,22H,1-5,9,12-14,17H2,(H,28,32)
InChIKeyKDLGLRTZOWAODB-UHFFFAOYSA-N
MW481.00 g/mol
LogP4.31
Rot. Bonds4

About N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide

N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide (PubChem CID 53030036) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
PubChem CID53030036
Molecular FormulaC26H29ClN4O3
Molecular Weight481.00 g/mol
Exact Mass480.19
IUPAC NameN-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
SMILESO=C(CN1C(=O)C2CCCCN2c2ccc(C(=O)N3CCCCC3)cc21)Nc1cccc(Cl)c1
InChIInChI=1S/C26H29ClN4O3/c27-19-7-6-8-20(16-19)28-24(32)17-31-23-15-18(25(33)29-12-3-1-4-13-29)10-11-21(23)30-14-5-2-9-22(30)26(31)34/h6-8,10-11,15-16,22H,1-5,9,12-14,17H2,(H,28,32)
InChIKeyKDLGLRTZOWAODB-UHFFFAOYSA-N
XLogP4.31
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53088590
2-[(6aR)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93060175
N-(3,5-dimethylphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53030010
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide
CID 93060136
N-cyclooctyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 22578624
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2,4-dimethylphenyl)acetamide
CID 93060152
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 93060178
2-[(6aS)-6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-propylacetamide
CID 92752153
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 98325112
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-methoxyethyl)acetamide
CID 93060166
2-[(6aR)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 93060195
2-[(6aR)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(3-phenylpropyl)acetamide
CID 93060147

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide (CID 53030036) is N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide is O=C(CN1C(=O)C2CCCCN2c2ccc(C(=O)N3CCCCC3)cc21)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The InChIKey is KDLGLRTZOWAODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c27-19-7-6-8-20(16-19)28-24(32)17-31-23-15-18(25(33)29-12-3-1-4-13-29)10-11-21(23)30-14-5-2-9-22(30)26(31)34/h6-8,10-11,15-16,22H,1-5,9,12-14,17H2,(H,28,32).
What are the key properties of N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide has a molecular weight of 481.00 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide is sourced from PubChem (CID 53030036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).