N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide

C29H35N5O2 — CID 54771972

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc2ncccc2c1
InChIInChI=1S/C29H35N5O2/c35-29(23-5-8-26-22(20-23)2-1-12-30-26)32-24-6-3-21(4-7-24)10-14-33-15-17-34(18-16-33)28-25-11-19-36-27(25)9-13-31-28/h1-2,5,8-9,12-13,20-21,24H,3-4,6-7,10-11,14-19H2,(H,32,35)
InChIKeyATHCQCSSVYPJIN-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.07
Rot. Bonds6

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide (PubChem CID 54771972) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide
PubChem CID54771972
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc2ncccc2c1
InChIInChI=1S/C29H35N5O2/c35-29(23-5-8-26-22(20-23)2-1-12-30-26)32-24-6-3-21(4-7-24)10-14-33-15-17-34(18-16-33)28-25-11-19-36-27(25)9-13-31-28/h1-2,5,8-9,12-13,20-21,24H,3-4,6-7,10-11,14-19H2,(H,32,35)
InChIKeyATHCQCSSVYPJIN-UHFFFAOYSA-N
XLogP4.07
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.07
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-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide (CID 54771972) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide is O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc2ncccc2c1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide?
The InChIKey is ATHCQCSSVYPJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c35-29(23-5-8-26-22(20-23)2-1-12-30-26)32-24-6-3-21(4-7-24)10-14-33-15-17-34(18-16-33)28-25-11-19-36-27(25)9-13-31-28/h1-2,5,8-9,12-13,20-21,24H,3-4,6-7,10-11,14-19H2,(H,32,35).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.07, 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-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide is sourced from PubChem (CID 54771972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).