4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide

C24H30FN5O4 — CID 142581374

IUPAC4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C24H30FN5O4/c1-2-26-23(32)30-11-9-29(10-12-30)22(31)19-16-27-20-4-3-17(25)15-18(20)21(19)28-7-5-24(6-8-28)33-13-14-34-24/h3-4,15-16H,2,5-14H2,1H3,(H,26,32)
InChIKeySAZATZYZIGGIGC-UHFFFAOYSA-N
MW471.53 g/mol
LogP2.20
Rot. Bonds3

About 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide

4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 142581374) has the molecular formula C24H30FN5O4 and a molecular weight of 471.53 g/mol. Its IUPAC name is 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
PubChem CID142581374
Molecular FormulaC24H30FN5O4
Molecular Weight471.53 g/mol
Exact Mass471.23
IUPAC Name4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C24H30FN5O4/c1-2-26-23(32)30-11-9-29(10-12-30)22(31)19-16-27-20-4-3-17(25)15-18(20)21(19)28-7-5-24(6-8-28)33-13-14-34-24/h3-4,15-16H,2,5-14H2,1H3,(H,26,32)
InChIKeySAZATZYZIGGIGC-UHFFFAOYSA-N
XLogP2.20
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide (CID 142581374) is 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is SAZATZYZIGGIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4/c1-2-26-23(32)30-11-9-29(10-12-30)22(31)19-16-27-20-4-3-17(25)15-18(20)21(19)28-7-5-24(6-8-28)33-13-14-34-24/h3-4,15-16H,2,5-14H2,1H3,(H,26,32).
What are the key properties of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide?
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 142581374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).