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

C26H32N4O5 — CID 142581364

IUPACcyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C26H32N4O5/c1-33-19-4-5-22-20(16-19)23(28-8-6-26(7-9-28)34-14-15-35-26)21(17-27-22)25(32)30-12-10-29(11-13-30)24(31)18-2-3-18/h4-5,16-18H,2-3,6-15H2,1H3
InChIKeyMVRZYUFICDYWBI-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.28
Rot. Bonds4

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

cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581364) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581364
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C26H32N4O5/c1-33-19-4-5-22-20(16-19)23(28-8-6-26(7-9-28)34-14-15-35-26)21(17-27-22)25(32)30-12-10-29(11-13-30)24(31)18-2-3-18/h4-5,16-18H,2-3,6-15H2,1H3
InChIKeyMVRZYUFICDYWBI-UHFFFAOYSA-N
XLogP2.28
TPSA84.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581364) is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-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-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone is COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC4(CC3)OCCO4)c2c1.
What is the InChIKey of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is MVRZYUFICDYWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-33-19-4-5-22-20(16-19)23(28-8-6-26(7-9-28)34-14-15-35-26)21(17-27-22)25(32)30-12-10-29(11-13-30)24(31)18-2-3-18/h4-5,16-18H,2-3,6-15H2,1H3.
What are the key properties of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 480.57 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).