8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride

C23H34Cl2FN3O3 — CID 139582045

IUPAC8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CCCNC2)nc2c(F)cc(C)cc12.Cl.Cl
InChIInChI=1S/C23H32FN3O3.2ClH/c1-15(2)27(17-7-5-8-25-14-17)23(28)20-13-21(30-10-6-9-29-4)18-11-16(3)12-19(24)22(18)26-20;;/h11-13,15,17,25H,5-10,14H2,1-4H3;2*1H
InChIKeyJMUSLJVWXFJKSI-UHFFFAOYSA-N
MW490.45 g/mol
LogP4.54
Rot. Bonds8

About 8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride

8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride (PubChem CID 139582045) has the molecular formula C23H34Cl2FN3O3 and a molecular weight of 490.45 g/mol. Its IUPAC name is 8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride
PubChem CID139582045
Molecular FormulaC23H34Cl2FN3O3
Molecular Weight490.45 g/mol
Exact Mass489.20
IUPAC Name8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CCCNC2)nc2c(F)cc(C)cc12.Cl.Cl
InChIInChI=1S/C23H32FN3O3.2ClH/c1-15(2)27(17-7-5-8-25-14-17)23(28)20-13-21(30-10-6-9-29-4)18-11-16(3)12-19(24)22(18)26-20;;/h11-13,15,17,25H,5-10,14H2,1-4H3;2*1H
InChIKeyJMUSLJVWXFJKSI-UHFFFAOYSA-N
XLogP4.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride?
The IUPAC name of 8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride (CID 139582045) is 8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride.
What is the SMILES notation for 8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride?
The canonical SMILES for 8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride is COCCCOc1cc(C(=O)N(C(C)C)C2CCCNC2)nc2c(F)cc(C)cc12.Cl.Cl.
What is the InChIKey of 8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride?
The InChIKey is JMUSLJVWXFJKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O3.2ClH/c1-15(2)27(17-7-5-8-25-14-17)23(28)20-13-21(30-10-6-9-29-4)18-11-16(3)12-19(24)22(18)26-20;;/h11-13,15,17,25H,5-10,14H2,1-4H3;2*1H.
What are the key properties of 8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride?
8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride has a molecular weight of 490.45 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 139582045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).