(4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone

C19H24N4O — CID 46360427

IUPAC(4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone
SMILESCN1CCN(C(=O)c2cnc(N3CCCC3)c3ccccc23)CC1
InChIInChI=1S/C19H24N4O/c1-21-10-12-23(13-11-21)19(24)17-14-20-18(22-8-4-5-9-22)16-7-3-2-6-15(16)17/h2-3,6-7,14H,4-5,8-13H2,1H3
InChIKeyOBYNOHRFXITRDH-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.22
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone

(4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone (PubChem CID 46360427) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone
PubChem CID46360427
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone
SMILESCN1CCN(C(=O)c2cnc(N3CCCC3)c3ccccc23)CC1
InChIInChI=1S/C19H24N4O/c1-21-10-12-23(13-11-21)19(24)17-14-20-18(22-8-4-5-9-22)16-7-3-2-6-15(16)17/h2-3,6-7,14H,4-5,8-13H2,1H3
InChIKeyOBYNOHRFXITRDH-UHFFFAOYSA-N
XLogP2.22
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 5052677
1-(4-methyl-1,4-diazepan-1-yl)isoquinoline-4-carboxylic acid
CID 106766526
1-(4-methylpiperazin-1-yl)isoquinoline-4-carboxylic acid
CID 106766477
[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 122174435
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate
CID 15998604
(4-phenylpiperazin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174293
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone
CID 92876993
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 15992231
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 22334042
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174457

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone (CID 46360427) is (4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone is CN1CCN(C(=O)c2cnc(N3CCCC3)c3ccccc23)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone?
The InChIKey is OBYNOHRFXITRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-21-10-12-23(13-11-21)19(24)17-14-20-18(22-8-4-5-9-22)16-7-3-2-6-15(16)17/h2-3,6-7,14H,4-5,8-13H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone?
(4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone is sourced from PubChem (CID 46360427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).