[4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone

C24H23N3O3 — CID 20868555

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc4c(C)nc5ccccc5c4o3)CC2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-20-15-22(30-23(20)19-5-3-4-6-21(19)25-16)24(28)27-13-11-26(12-14-27)17-7-9-18(29-2)10-8-17/h3-10,15H,11-14H2,1-2H3
InChIKeyXXVSPNNGIMTRGR-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.26
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone (PubChem CID 20868555) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
PubChem CID20868555
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc4c(C)nc5ccccc5c4o3)CC2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-20-15-22(30-23(20)19-5-3-4-6-21(19)25-16)24(28)27-13-11-26(12-14-27)17-7-9-18(29-2)10-8-17/h3-10,15H,11-14H2,1-2H3
InChIKeyXXVSPNNGIMTRGR-UHFFFAOYSA-N
XLogP4.26
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone (CID 20868555) is [4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone is COc1ccc(N2CCN(C(=O)c3cc4c(C)nc5ccccc5c4o3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The InChIKey is XXVSPNNGIMTRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-20-15-22(30-23(20)19-5-3-4-6-21(19)25-16)24(28)27-13-11-26(12-14-27)17-7-9-18(29-2)10-8-17/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone has a molecular weight of 401.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone is sourced from PubChem (CID 20868555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).