6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid

C30H38N4O5 — CID 178032796

IUPAC6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid
SMILESCN(CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cc2c(C(=O)O)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C30H38N4O5/c1-30(2,3)39-29(37)34-17-15-33(16-18-34)14-8-13-32(4)26-19-24-23(28(35)36)11-12-31-25(24)20-27(26)38-21-22-9-6-5-7-10-22/h5-7,9-12,19-20H,8,13-18,21H2,1-4H3,(H,35,36)
InChIKeyGLZUQMOTXMJSGL-UHFFFAOYSA-N
MW534.66 g/mol
LogP4.89
Rot. Bonds9

About 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid

6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid (PubChem CID 178032796) has the molecular formula C30H38N4O5 and a molecular weight of 534.66 g/mol. Its IUPAC name is 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid
PubChem CID178032796
Molecular FormulaC30H38N4O5
Molecular Weight534.66 g/mol
Exact Mass534.28
IUPAC Name6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid
SMILESCN(CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cc2c(C(=O)O)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C30H38N4O5/c1-30(2,3)39-29(37)34-17-15-33(16-18-34)14-8-13-32(4)26-19-24-23(28(35)36)11-12-31-25(24)20-27(26)38-21-22-9-6-5-7-10-22/h5-7,9-12,19-20H,8,13-18,21H2,1-4H3,(H,35,36)
InChIKeyGLZUQMOTXMJSGL-UHFFFAOYSA-N
XLogP4.89
TPSA95.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.66
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-[2-(4-fluoro-2-phenylmethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 69059335
tert-butyl 4-[5-[6-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propoxy]quinolin-4-yl]-5-oxopentyl]piperazine-1-carboxylate
CID 168724013
tert-butyl 4-[2-[bis(2-oxo-2-phenylmethoxyethyl)amino]ethyl]piperazine-1-carboxylate
CID 153393655
benzyl 4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperazine-1-carboxylate
CID 166066109
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl 4-[[3-(3-methoxy-4-phenylmethoxyphenyl)phenyl]methyl]piperazine-1-carboxylate
CID 171675504
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
tert-butyl 8-[4-fluoro-3-[2-(4-phenylmethoxycarbonylpiperazin-1-yl)ethoxy]phenyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 176563467
benzyl 4-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propyl]piperazine-1-carboxylate
CID 164540772
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinolin-4-yl]boronic acid
CID 171809812
tert-butyl 4-[2-[(2-hydroxy-2-methylpropyl)amino]-6-methoxy-7-phenylmethoxyquinazolin-4-yl]piperazine-1-carboxylate
CID 130454370

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid?
The IUPAC name of 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid (CID 178032796) is 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid?
The canonical SMILES for 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid is CN(CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cc2c(C(=O)O)ccnc2cc1OCc1ccccc1.
What is the InChIKey of 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid?
The InChIKey is GLZUQMOTXMJSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O5/c1-30(2,3)39-29(37)34-17-15-33(16-18-34)14-8-13-32(4)26-19-24-23(28(35)36)11-12-31-25(24)20-27(26)38-21-22-9-6-5-7-10-22/h5-7,9-12,19-20H,8,13-18,21H2,1-4H3,(H,35,36).
What are the key properties of 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid?
6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid has a molecular weight of 534.66 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 178032796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).