[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone

C27H32ClN5O — CID 53102305

IUPAC[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccc(Cl)cc5)CC4)c3c2)CC1
InChIInChI=1S/C27H32ClN5O/c1-2-11-30-12-14-33(15-13-30)27(34)22-4-3-21-9-10-29-26(25(21)20-22)32-18-16-31(17-19-32)24-7-5-23(28)6-8-24/h3-10,20H,2,11-19H2,1H3
InChIKeyLFTASAHMHIOXRQ-UHFFFAOYSA-N
MW478.04 g/mol
LogP4.38
Rot. Bonds5

About [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone

[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 53102305) has the molecular formula C27H32ClN5O and a molecular weight of 478.04 g/mol. Its IUPAC name is [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID53102305
Molecular FormulaC27H32ClN5O
Molecular Weight478.04 g/mol
Exact Mass477.23
IUPAC Name[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccc(Cl)cc5)CC4)c3c2)CC1
InChIInChI=1S/C27H32ClN5O/c1-2-11-30-12-14-33(15-13-30)27(34)22-4-3-21-9-10-29-26(25(21)20-22)32-18-16-31(17-19-32)24-7-5-23(28)6-8-24/h3-10,20H,2,11-19H2,1H3
InChIKeyLFTASAHMHIOXRQ-UHFFFAOYSA-N
XLogP4.38
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone with MolForge

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Related Compounds

azepan-1-yl-[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]methanone
CID 53102246
[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone
CID 53010054
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
CID 53010018
(4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone
CID 53035343
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499
1-[4-(4-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)isoquinoline-7-carboxamide
CID 53102297
1-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylbutyl)isoquinoline-7-carboxamide
CID 53102325
[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
CID 95754456
1-[4-(2-chloroethyl)piperazin-1-yl]isoquinolin-7-ol
CID 106542538
1-pyrrolidin-1-ylisoquinoline-7-carboxylic acid
CID 82571132
[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 95754518
N-[(4-ethylphenyl)methyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
CID 53102370

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone (CID 53102305) is [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccc(Cl)cc5)CC4)c3c2)CC1.
What is the InChIKey of [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is LFTASAHMHIOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O/c1-2-11-30-12-14-33(15-13-30)27(34)22-4-3-21-9-10-29-26(25(21)20-22)32-18-16-31(17-19-32)24-7-5-23(28)6-8-24/h3-10,20H,2,11-19H2,1H3.
What are the key properties of [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone?
[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 478.04 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 53102305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).