N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide

C26H24ClN3O3 — CID 44526599

IUPACN-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccco3)CC2)c(Cl)c1)c1ccc2ncccc2c1
InChIInChI=1S/C26H24ClN3O3/c27-23-16-20(29-26(31)19-5-7-24-18(15-19)3-1-11-28-24)6-8-25(23)33-21-9-12-30(13-10-21)17-22-4-2-14-32-22/h1-8,11,14-16,21H,9-10,12-13,17H2,(H,29,31)
InChIKeyRFUMOSGXRZBGSM-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.78
Rot. Bonds6

About N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide

N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide (PubChem CID 44526599) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide
PubChem CID44526599
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC NameN-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccco3)CC2)c(Cl)c1)c1ccc2ncccc2c1
InChIInChI=1S/C26H24ClN3O3/c27-23-16-20(29-26(31)19-5-7-24-18(15-19)3-1-11-28-24)6-8-25(23)33-21-9-12-30(13-10-21)17-22-4-2-14-32-22/h1-8,11,14-16,21H,9-10,12-13,17H2,(H,29,31)
InChIKeyRFUMOSGXRZBGSM-UHFFFAOYSA-N
XLogP5.78
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide?
The IUPAC name of N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide (CID 44526599) is N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide?
The canonical SMILES for N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide is O=C(Nc1ccc(OC2CCN(Cc3ccco3)CC2)c(Cl)c1)c1ccc2ncccc2c1.
What is the InChIKey of N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide?
The InChIKey is RFUMOSGXRZBGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c27-23-16-20(29-26(31)19-5-7-24-18(15-19)3-1-11-28-24)6-8-25(23)33-21-9-12-30(13-10-21)17-22-4-2-14-32-22/h1-8,11,14-16,21H,9-10,12-13,17H2,(H,29,31).
What are the key properties of N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide?
N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide is sourced from PubChem (CID 44526599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).