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

C28H34N4O3 — CID 53088570

IUPACN-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)C2CCCCN2c2ccc(C(=O)N3CCCC3)cc21
InChIInChI=1S/C28H34N4O3/c1-2-29(19-21-10-4-3-5-11-21)26(33)20-32-25-18-22(27(34)30-15-8-9-16-30)13-14-23(25)31-17-7-6-12-24(31)28(32)35/h3-5,10-11,13-14,18,24H,2,6-9,12,15-17,19-20H2,1H3
InChIKeyUHCSGJWUQXKNGW-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.68
Rot. Bonds6

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

N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide (PubChem CID 53088570) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
PubChem CID53088570
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)C2CCCCN2c2ccc(C(=O)N3CCCC3)cc21
InChIInChI=1S/C28H34N4O3/c1-2-29(19-21-10-4-3-5-11-21)26(33)20-32-25-18-22(27(34)30-15-8-9-16-30)13-14-23(25)31-17-7-6-12-24(31)28(32)35/h3-5,10-11,13-14,18,24H,2,6-9,12,15-17,19-20H2,1H3
InChIKeyUHCSGJWUQXKNGW-UHFFFAOYSA-N
XLogP3.68
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide (CID 53088570) is N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide is CCN(Cc1ccccc1)C(=O)CN1C(=O)C2CCCCN2c2ccc(C(=O)N3CCCC3)cc21.
What is the InChIKey of N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The InChIKey is UHCSGJWUQXKNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-2-29(19-21-10-4-3-5-11-21)26(33)20-32-25-18-22(27(34)30-15-8-9-16-30)13-14-23(25)31-17-7-6-12-24(31)28(32)35/h3-5,10-11,13-14,18,24H,2,6-9,12,15-17,19-20H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide has a molecular weight of 474.61 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide is sourced from PubChem (CID 53088570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).