N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide

C25H30N4O4S — CID 15996955

IUPACN-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12
InChIInChI=1S/C25H30N4O4S/c1-18-8-12-29(13-9-18)34(31,32)20-6-7-23-21(15-20)22(25(30)27-11-4-14-33-2)16-24(28-23)19-5-3-10-26-17-19/h3,5-7,10,15-18H,4,8-9,11-14H2,1-2H3,(H,27,30)
InChIKeyUSJVXSFSFGGQIK-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.48
Rot. Bonds8

About N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide

N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 15996955) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID15996955
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC NameN-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12
InChIInChI=1S/C25H30N4O4S/c1-18-8-12-29(13-9-18)34(31,32)20-6-7-23-21(15-20)22(25(30)27-11-4-14-33-2)16-24(28-23)19-5-3-10-26-17-19/h3,5-7,10,15-18H,4,8-9,11-14H2,1-2H3,(H,27,30)
InChIKeyUSJVXSFSFGGQIK-UHFFFAOYSA-N
XLogP3.48
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 15996955) is N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide is COCCCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12.
What is the InChIKey of N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is USJVXSFSFGGQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-18-8-12-29(13-9-18)34(31,32)20-6-7-23-21(15-20)22(25(30)27-11-4-14-33-2)16-24(28-23)19-5-3-10-26-17-19/h3,5-7,10,15-18H,4,8-9,11-14H2,1-2H3,(H,27,30).
What are the key properties of N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide?
N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 15996955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).