N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide

C29H33N5O2 — CID 54769738

IUPACN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1)c1ccnc2ccccc12
InChIInChI=1S/C29H33N5O2/c35-29(24-9-13-30-26-4-2-1-3-23(24)26)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-25-12-20-36-27(25)10-14-31-28/h1-4,9-10,12-14,20-22H,5-8,11,15-19H2,(H,32,35)
InChIKeyIQGWEXBXERIPCR-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.88
Rot. Bonds6

About N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide

N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide (PubChem CID 54769738) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide
PubChem CID54769738
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1)c1ccnc2ccccc12
InChIInChI=1S/C29H33N5O2/c35-29(24-9-13-30-26-4-2-1-3-23(24)26)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-25-12-20-36-27(25)10-14-31-28/h1-4,9-10,12-14,20-22H,5-8,11,15-19H2,(H,32,35)
InChIKeyIQGWEXBXERIPCR-UHFFFAOYSA-N
XLogP4.88
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide?
The IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide (CID 54769738) is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide?
The canonical SMILES for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide is O=C(NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1)c1ccnc2ccccc12.
What is the InChIKey of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide?
The InChIKey is IQGWEXBXERIPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c35-29(24-9-13-30-26-4-2-1-3-23(24)26)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-25-12-20-36-27(25)10-14-31-28/h1-4,9-10,12-14,20-22H,5-8,11,15-19H2,(H,32,35).
What are the key properties of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide?
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]quinoline-4-carboxamide is sourced from PubChem (CID 54769738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).