propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate

C18H20ClN3O3 — CID 129028840

IUPACpropyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1
InChIInChI=1S/C18H20ClN3O3/c1-2-11-25-18(24)22-9-7-21(8-10-22)17(23)13-3-4-14-15(19)5-6-20-16(14)12-13/h3-6,12H,2,7-11H2,1H3
InChIKeyRYKSTJSWYMCHIX-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.19
Rot. Bonds3

About propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate

propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate (PubChem CID 129028840) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate
PubChem CID129028840
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Namepropyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1
InChIInChI=1S/C18H20ClN3O3/c1-2-11-25-18(24)22-9-7-21(8-10-22)17(23)13-3-4-14-15(19)5-6-20-16(14)12-13/h3-6,12H,2,7-11H2,1H3
InChIKeyRYKSTJSWYMCHIX-UHFFFAOYSA-N
XLogP3.19
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate?
The IUPAC name of propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate (CID 129028840) is propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate is CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1.
What is the InChIKey of propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate?
The InChIKey is RYKSTJSWYMCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-2-11-25-18(24)22-9-7-21(8-10-22)17(23)13-3-4-14-15(19)5-6-20-16(14)12-13/h3-6,12H,2,7-11H2,1H3.
What are the key properties of propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate?
propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate has a molecular weight of 361.83 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 129028840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).