methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate

C22H27N5O6 — CID 22184808

IUPACmethyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate
SMILESCOC(=O)CCC(NC(=O)c1cc(OC)c2ccccc2n1)C(=O)N1CCN(C(N)=O)CC1
InChIInChI=1S/C22H27N5O6/c1-32-18-13-17(24-15-6-4-3-5-14(15)18)20(29)25-16(7-8-19(28)33-2)21(30)26-9-11-27(12-10-26)22(23)31/h3-6,13,16H,7-12H2,1-2H3,(H2,23,31)(H,25,29)
InChIKeyWRFRDHJWQSXSPH-UHFFFAOYSA-N
MW457.49 g/mol
LogP0.52
Rot. Bonds7

About methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate

methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate (PubChem CID 22184808) has the molecular formula C22H27N5O6 and a molecular weight of 457.49 g/mol. Its IUPAC name is methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate
PubChem CID22184808
Molecular FormulaC22H27N5O6
Molecular Weight457.49 g/mol
Exact Mass457.20
IUPAC Namemethyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate
SMILESCOC(=O)CCC(NC(=O)c1cc(OC)c2ccccc2n1)C(=O)N1CCN(C(N)=O)CC1
InChIInChI=1S/C22H27N5O6/c1-32-18-13-17(24-15-6-4-3-5-14(15)18)20(29)25-16(7-8-19(28)33-2)21(30)26-9-11-27(12-10-26)22(23)31/h3-6,13,16H,7-12H2,1-2H3,(H2,23,31)(H,25,29)
InChIKeyWRFRDHJWQSXSPH-UHFFFAOYSA-N
XLogP0.52
TPSA144.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[3-hydroxy-2-[(4-methoxyquinoline-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 22184871
ethyl 4-[2-[[4-(1-cyanoethoxy)quinoline-2-carbonyl]amino]-5-methoxy-5-oxopentanoyl]piperazine-1-carboxylate
CID 22185066
ethyl 4-[5-methoxy-5-oxo-2-[[4-(3,4,4-trifluorobut-3-enoxy)quinoline-2-carbonyl]amino]pentanoyl]piperazine-1-carboxylate
CID 22184807
ethyl 4-[2-[(4-methoxyquinoline-2-carbonyl)amino]-4-oxo-4-phenylmethoxybutanoyl]piperazine-1-carboxylate
CID 22185037
4-[[4-(carboxymethoxy)quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 22017501
4-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]quinoline-2-carboxamide
CID 1263453
5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-methoxycarbonylquinoline-2-carbonyl)amino]-5-oxopentanoic acid
CID 22184822
ethyl 4-[2-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
CID 22184855
ethyl 4-[2-[(8-methoxy-4-phenylmethoxyquinoline-2-carbonyl)amino]-5-oxo-5-phenylmethoxypentanoyl]piperazine-1-carboxylate
CID 22017519
4-[[4-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 68598196
5-[4-(furan-2-carbonyl)-3-(2-methylpropyl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid
CID 22184966
4-[(5,7-dichloro-4-methoxyquinoline-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 22184982

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate?
The IUPAC name of methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate (CID 22184808) is methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate is COC(=O)CCC(NC(=O)c1cc(OC)c2ccccc2n1)C(=O)N1CCN(C(N)=O)CC1.
What is the InChIKey of methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate?
The InChIKey is WRFRDHJWQSXSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O6/c1-32-18-13-17(24-15-6-4-3-5-14(15)18)20(29)25-16(7-8-19(28)33-2)21(30)26-9-11-27(12-10-26)22(23)31/h3-6,13,16H,7-12H2,1-2H3,(H2,23,31)(H,25,29).
What are the key properties of methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate?
methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate has a molecular weight of 457.49 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate is sourced from PubChem (CID 22184808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).