[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

C23H21ClN4O2 — CID 134148678

IUPAC[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2c1
InChIInChI=1S/C23H21ClN4O2/c1-30-17-3-5-19-15(12-17)13-21(26-19)23(29)28-10-8-27(9-11-28)22-6-7-25-20-14-16(24)2-4-18(20)22/h2-7,12-14,26H,8-11H2,1H3
InChIKeyGEOGGNNXGKSEPC-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.34
Rot. Bonds3

About [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 134148678) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID134148678
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2c1
InChIInChI=1S/C23H21ClN4O2/c1-30-17-3-5-19-15(12-17)13-21(26-19)23(29)28-10-8-27(9-11-28)22-6-7-25-20-14-16(24)2-4-18(20)22/h2-7,12-14,26H,8-11H2,1H3
InChIKeyGEOGGNNXGKSEPC-UHFFFAOYSA-N
XLogP4.34
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (CID 134148678) is [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2c1.
What is the InChIKey of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is GEOGGNNXGKSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-30-17-3-5-19-15(12-17)13-21(26-19)23(29)28-10-8-27(9-11-28)22-6-7-25-20-14-16(24)2-4-18(20)22/h2-7,12-14,26H,8-11H2,1H3.
What are the key properties of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 420.90 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 134148678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).