cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone

C27H34N4O6 — CID 142581249

IUPACcyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCOc1cc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC4(CC3)OCCO4)c2cc1OC
InChIInChI=1S/C27H34N4O6/c1-34-22-15-19-21(16-23(22)35-2)28-17-20(24(19)29-7-5-27(6-8-29)36-13-14-37-27)26(33)31-11-9-30(10-12-31)25(32)18-3-4-18/h15-18H,3-14H2,1-2H3
InChIKeySLPWPZVOJKBWFO-UHFFFAOYSA-N
MW510.59 g/mol
LogP2.29
Rot. Bonds5

About cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581249) has the molecular formula C27H34N4O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581249
Molecular FormulaC27H34N4O6
Molecular Weight510.59 g/mol
Exact Mass510.25
IUPAC Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCOc1cc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC4(CC3)OCCO4)c2cc1OC
InChIInChI=1S/C27H34N4O6/c1-34-22-15-19-21(16-23(22)35-2)28-17-20(24(19)29-7-5-27(6-8-29)36-13-14-37-27)26(33)31-11-9-30(10-12-31)25(32)18-3-4-18/h15-18H,3-14H2,1-2H3
InChIKeySLPWPZVOJKBWFO-UHFFFAOYSA-N
XLogP2.29
TPSA93.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581249) is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone is COc1cc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC4(CC3)OCCO4)c2cc1OC.
What is the InChIKey of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is SLPWPZVOJKBWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O6/c1-34-22-15-19-21(16-23(22)35-2)28-17-20(24(19)29-7-5-27(6-8-29)36-13-14-37-27)26(33)31-11-9-30(10-12-31)25(32)18-3-4-18/h15-18H,3-14H2,1-2H3.
What are the key properties of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 510.59 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).