[4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

C25H29ClN4O4 — CID 142581192

IUPAC[4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H29ClN4O4/c26-18-3-4-21-19(15-18)22(28-7-5-25(6-8-28)33-13-14-34-25)20(16-27-21)24(32)30-11-9-29(10-12-30)23(31)17-1-2-17/h3-4,15-17H,1-2,5-14H2
InChIKeyALEOSAXDAUEICY-UHFFFAOYSA-N
MW484.98 g/mol
LogP2.93
Rot. Bonds3

About [4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

[4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 142581192) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is [4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID142581192
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC Name[4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H29ClN4O4/c26-18-3-4-21-19(15-18)22(28-7-5-25(6-8-28)33-13-14-34-25)20(16-27-21)24(32)30-11-9-29(10-12-30)23(31)17-1-2-17/h3-4,15-17H,1-2,5-14H2
InChIKeyALEOSAXDAUEICY-UHFFFAOYSA-N
XLogP2.93
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (CID 142581192) is [4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is O=C(c1cnc2ccc(Cl)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is ALEOSAXDAUEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c26-18-3-4-21-19(15-18)22(28-7-5-25(6-8-28)33-13-14-34-25)20(16-27-21)24(32)30-11-9-29(10-12-30)23(31)17-1-2-17/h3-4,15-17H,1-2,5-14H2.
What are the key properties of [4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 484.98 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 142581192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).