2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

C19H24N4O3 — CID 125155492

IUPAC2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)NCCN1Cc1cc(=O)c2c(C)ccc(C)c2[nH]1
InChIInChI=1S/C19H24N4O3/c1-11-4-5-12(2)18-17(11)15(24)8-13(22-18)10-23-7-6-21-19(26)14(23)9-16(25)20-3/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,20,25)(H,21,26)(H,22,24)/t14-/m0/s1
InChIKeyKVGMAQSSVNTCAK-AWEZNQCLSA-N
MW356.43 g/mol
LogP0.58
Rot. Bonds4

About 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 125155492) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID125155492
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)NCCN1Cc1cc(=O)c2c(C)ccc(C)c2[nH]1
InChIInChI=1S/C19H24N4O3/c1-11-4-5-12(2)18-17(11)15(24)8-13(22-18)10-23-7-6-21-19(26)14(23)9-16(25)20-3/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,20,25)(H,21,26)(H,22,24)/t14-/m0/s1
InChIKeyKVGMAQSSVNTCAK-AWEZNQCLSA-N
XLogP0.58
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide with MolForge

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Related Compounds

N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
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2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 56902232
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95724218
N-(3-methoxypropyl)-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
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2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (CID 125155492) is 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is CNC(=O)C[C@H]1C(=O)NCCN1Cc1cc(=O)c2c(C)ccc(C)c2[nH]1.
What is the InChIKey of 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is KVGMAQSSVNTCAK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-4-5-12(2)18-17(11)15(24)8-13(22-18)10-23-7-6-21-19(26)14(23)9-16(25)20-3/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,20,25)(H,21,26)(H,22,24)/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 356.43 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 125155492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).