[4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C24H19ClN4O3 — CID 2220893

IUPAC[4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C24H19ClN4O3/c25-16-6-7-19-17(14-16)18(15-21(27-19)20-4-1-2-8-26-20)23(30)28-9-11-29(12-10-28)24(31)22-5-3-13-32-22/h1-8,13-15H,9-12H2
InChIKeyOBUKKGSQMPWBGM-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.14
Rot. Bonds3

About [4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 2220893) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is [4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID2220893
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name[4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C24H19ClN4O3/c25-16-6-7-19-17(14-16)18(15-21(27-19)20-4-1-2-8-26-20)23(30)28-9-11-29(12-10-28)24(31)22-5-3-13-32-22/h1-8,13-15H,9-12H2
InChIKeyOBUKKGSQMPWBGM-UHFFFAOYSA-N
XLogP4.14
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 2220893) is [4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)CC1.
What is the InChIKey of [4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is OBUKKGSQMPWBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c25-16-6-7-19-17(14-16)18(15-21(27-19)20-4-1-2-8-26-20)23(30)28-9-11-29(12-10-28)24(31)22-5-3-13-32-22/h1-8,13-15H,9-12H2.
What are the key properties of [4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 446.89 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 2220893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).