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

C25H28F2N4O4 — CID 142581244

IUPACcyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2cc(F)c(F)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H28F2N4O4/c26-19-13-17-21(14-20(19)27)28-15-18(22(17)29-5-3-25(4-6-29)34-11-12-35-25)24(33)31-9-7-30(8-10-31)23(32)16-1-2-16/h13-16H,1-12H2
InChIKeyDUAIQQKLZMRCAE-UHFFFAOYSA-N
MW486.52 g/mol
LogP2.55
Rot. Bonds3

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

cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581244) has the molecular formula C25H28F2N4O4 and a molecular weight of 486.52 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581244
Molecular FormulaC25H28F2N4O4
Molecular Weight486.52 g/mol
Exact Mass486.21
IUPAC Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2cc(F)c(F)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H28F2N4O4/c26-19-13-17-21(14-20(19)27)28-15-18(22(17)29-5-3-25(4-6-29)34-11-12-35-25)24(33)31-9-7-30(8-10-31)23(32)16-1-2-16/h13-16H,1-12H2
InChIKeyDUAIQQKLZMRCAE-UHFFFAOYSA-N
XLogP2.55
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-Chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581192
[4-[4-(6-Azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581198
1-[6-Fluoro-3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581216
1-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile
CID 142581222
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581275
[4-[4-(2-Azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581277
1-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile
CID 142581362
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581369
Cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581373
[4-[4-(2-Azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581394
Cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581409
[4-[4-(Azepan-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581421

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-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-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581244) is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-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-difluoroquinoline-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-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is O=C(c1cnc2cc(F)c(F)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is DUAIQQKLZMRCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O4/c26-19-13-17-21(14-20(19)27)28-15-18(22(17)29-5-3-25(4-6-29)34-11-12-35-25)24(33)31-9-7-30(8-10-31)23(32)16-1-2-16/h13-16H,1-12H2.
What are the key properties of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 486.52 g/mol, XLogP of 2.55, 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)-6,7-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).