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

C29H33N5O3 — CID 90309345

IUPACquinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1)Oc1ccnc2ccccc12
InChIInChI=1S/C29H33N5O3/c35-29(37-27-10-13-30-25-4-2-1-3-23(25)27)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-24-12-20-36-26(24)9-14-31-28/h1-4,9-10,12-14,20-22H,5-8,11,15-19H2,(H,32,35)
InChIKeyQRRUZKUTONIFCJ-UHFFFAOYSA-N
MW499.62 g/mol
LogP5.24
Rot. Bonds6

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

quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate (PubChem CID 90309345) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namequinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
PubChem CID90309345
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Namequinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1)Oc1ccnc2ccccc12
InChIInChI=1S/C29H33N5O3/c35-29(37-27-10-13-30-25-4-2-1-3-23(25)27)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-24-12-20-36-26(24)9-14-31-28/h1-4,9-10,12-14,20-22H,5-8,11,15-19H2,(H,32,35)
InChIKeyQRRUZKUTONIFCJ-UHFFFAOYSA-N
XLogP5.24
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate?
The IUPAC name of quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate (CID 90309345) is quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate.
What is the SMILES notation for quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate?
The canonical SMILES for quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate is O=C(NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1)Oc1ccnc2ccccc12.
What is the InChIKey of quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate?
The InChIKey is QRRUZKUTONIFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c35-29(37-27-10-13-30-25-4-2-1-3-23(25)27)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-24-12-20-36-26(24)9-14-31-28/h1-4,9-10,12-14,20-22H,5-8,11,15-19H2,(H,32,35).
What are the key properties of quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate?
quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate has a molecular weight of 499.62 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-yl N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 90309345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).