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

C26H31FN4O4 — CID 142581502

IUPACcyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCc1cc(F)cc2c(N3CCC4(CC3)OCCO4)c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc12
InChIInChI=1S/C26H31FN4O4/c1-17-14-19(27)15-20-22(17)28-16-21(23(20)29-6-4-26(5-7-29)34-12-13-35-26)25(33)31-10-8-30(9-11-31)24(32)18-2-3-18/h14-16,18H,2-13H2,1H3
InChIKeyANFVLVWBMBHAKW-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.72
Rot. Bonds3

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

cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581502) has the molecular formula C26H31FN4O4 and a molecular weight of 482.56 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581502
Molecular FormulaC26H31FN4O4
Molecular Weight482.56 g/mol
Exact Mass482.23
IUPAC Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCc1cc(F)cc2c(N3CCC4(CC3)OCCO4)c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc12
InChIInChI=1S/C26H31FN4O4/c1-17-14-19(27)15-20-22(17)28-16-21(23(20)29-6-4-26(5-7-29)34-12-13-35-26)25(33)31-10-8-30(9-11-31)24(32)18-2-3-18/h14-16,18H,2-13H2,1H3
InChIKeyANFVLVWBMBHAKW-UHFFFAOYSA-N
XLogP2.72
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581502) is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-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-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone is Cc1cc(F)cc2c(N3CCC4(CC3)OCCO4)c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc12.
What is the InChIKey of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is ANFVLVWBMBHAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O4/c1-17-14-19(27)15-20-22(17)28-16-21(23(20)29-6-4-26(5-7-29)34-12-13-35-26)25(33)31-10-8-30(9-11-31)24(32)18-2-3-18/h14-16,18H,2-13H2,1H3.
What are the key properties of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 482.56 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).