1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide

C22H28ClN3O4 — CID 75280067

IUPAC1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)CCC12
InChIInChI=1S/C22H28ClN3O4/c1-30-12-14-8-20(27)25-19-10-16(4-7-18(14)19)24-22(29)13-9-21(28)26(11-13)17-5-2-15(23)3-6-17/h2-3,5-6,13-14,16,18-19H,4,7-12H2,1H3,(H,24,29)(H,25,27)
InChIKeyBRZOBIXRPLRDJX-UHFFFAOYSA-N
MW433.94 g/mol
LogP2.13
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 75280067) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID75280067
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)CCC12
InChIInChI=1S/C22H28ClN3O4/c1-30-12-14-8-20(27)25-19-10-16(4-7-18(14)19)24-22(29)13-9-21(28)26(11-13)17-5-2-15(23)3-6-17/h2-3,5-6,13-14,16,18-19H,4,7-12H2,1H3,(H,24,29)(H,25,27)
InChIKeyBRZOBIXRPLRDJX-UHFFFAOYSA-N
XLogP2.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 75280567
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
(3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide
CID 97040001
ethyl 4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47051761
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229943
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 120576539

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide (CID 75280067) is 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide is COCC1CC(=O)NC2CC(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)CCC12.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BRZOBIXRPLRDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4/c1-30-12-14-8-20(27)25-19-10-16(4-7-18(14)19)24-22(29)13-9-21(28)26(11-13)17-5-2-15(23)3-6-17/h2-3,5-6,13-14,16,18-19H,4,7-12H2,1H3,(H,24,29)(H,25,27).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75280067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).