propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate

C24H24ClN3O3 — CID 126753798

IUPACpropyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3
InChIKeyKSURKAFQFJOCBC-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.86
Rot. Bonds4

About propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate

propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate (PubChem CID 126753798) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate
PubChem CID126753798
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Namepropyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3
InChIKeyKSURKAFQFJOCBC-UHFFFAOYSA-N
XLogP4.86
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate?
The IUPAC name of propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate (CID 126753798) is propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate is CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccccc4)nc3c2)CC1.
What is the InChIKey of propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate?
The InChIKey is KSURKAFQFJOCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3.
What are the key properties of propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate?
propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate has a molecular weight of 437.93 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 126753798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).