N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C30H30N4O5S — CID 162699196

IUPACN-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOCCCN1C(=O)c2cccc3c(NC(=O)C4CCCN(S(=O)(=O)c5cccc6cccnc56)C4)ccc1c23
InChIInChI=1S/C30H30N4O5S/c1-39-18-6-17-34-25-14-13-24(22-10-3-11-23(27(22)25)30(34)36)32-29(35)21-9-5-16-33(19-21)40(37,38)26-12-2-7-20-8-4-15-31-28(20)26/h2-4,7-8,10-15,21H,5-6,9,16-19H2,1H3,(H,32,35)
InChIKeyMWYIPDHEENKVOR-UHFFFAOYSA-N
MW558.66 g/mol
LogP4.42
Rot. Bonds8

About N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 162699196) has the molecular formula C30H30N4O5S and a molecular weight of 558.66 g/mol. Its IUPAC name is N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID162699196
Molecular FormulaC30H30N4O5S
Molecular Weight558.66 g/mol
Exact Mass558.19
IUPAC NameN-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOCCCN1C(=O)c2cccc3c(NC(=O)C4CCCN(S(=O)(=O)c5cccc6cccnc56)C4)ccc1c23
InChIInChI=1S/C30H30N4O5S/c1-39-18-6-17-34-25-14-13-24(22-10-3-11-23(27(22)25)30(34)36)32-29(35)21-9-5-16-33(19-21)40(37,38)26-12-2-7-20-8-4-15-31-28(20)26/h2-4,7-8,10-15,21H,5-6,9,16-19H2,1H3,(H,32,35)
InChIKeyMWYIPDHEENKVOR-UHFFFAOYSA-N
XLogP4.42
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.66
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide
CID 166950150
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863418
1-(1-benzothiophen-3-ylsulfonyl)-N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]piperidine-4-carboxamide
CID 166751261
1-(4-acetamidophenyl)sulfonyl-N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]piperidine-2-carboxamide
CID 166751071
1-(3-methoxypropyl)-6-[2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one
CID 163431739
1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]piperidine-2-carboxamide
CID 166950164
1-(3,4-dimethoxyphenyl)sulfonyl-N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]piperidine-2-carboxamide
CID 163706330
1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide
CID 166950195
1-[(2-chloro-2,3-dihydrothiophen-5-yl)sulfonyl]-N-[1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide
CID 166751341
N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876129
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876140

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 162699196) is N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is COCCCN1C(=O)c2cccc3c(NC(=O)C4CCCN(S(=O)(=O)c5cccc6cccnc56)C4)ccc1c23.
What is the InChIKey of N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is MWYIPDHEENKVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O5S/c1-39-18-6-17-34-25-14-13-24(22-10-3-11-23(27(22)25)30(34)36)32-29(35)21-9-5-16-33(19-21)40(37,38)26-12-2-7-20-8-4-15-31-28(20)26/h2-4,7-8,10-15,21H,5-6,9,16-19H2,1H3,(H,32,35).
What are the key properties of N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 558.66 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 162699196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).