2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one

C24H25N3O2 — CID 134258753

IUPAC2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one
SMILESCN1CCN(C(=O)c2ccc(-c3cn(C4CC4)c(=O)c4ccccc34)cc2)CC1
InChIInChI=1S/C24H25N3O2/c1-25-12-14-26(15-13-25)23(28)18-8-6-17(7-9-18)22-16-27(19-10-11-19)24(29)21-5-3-2-4-20(21)22/h2-9,16,19H,10-15H2,1H3
InChIKeyFCKUOAZTAPHLTH-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.39
Rot. Bonds3

About 2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one

2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one (PubChem CID 134258753) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one
PubChem CID134258753
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one
SMILESCN1CCN(C(=O)c2ccc(-c3cn(C4CC4)c(=O)c4ccccc34)cc2)CC1
InChIInChI=1S/C24H25N3O2/c1-25-12-14-26(15-13-25)23(28)18-8-6-17(7-9-18)22-16-27(19-10-11-19)24(29)21-5-3-2-4-20(21)22/h2-9,16,19H,10-15H2,1H3
InChIKeyFCKUOAZTAPHLTH-UHFFFAOYSA-N
XLogP3.39
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one
CID 134258777
2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one
CID 122565989
4-methyl-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]phthalazin-1-one;hydrobromide
CID 90485711
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
[4-[7-cyclohexyl-2-[2-(difluoromethoxy)ethylamino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 137399594
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334620
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 108763681
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one?
The IUPAC name of 2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one (CID 134258753) is 2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one.
What is the SMILES notation for 2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one?
The canonical SMILES for 2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one is CN1CCN(C(=O)c2ccc(-c3cn(C4CC4)c(=O)c4ccccc34)cc2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one?
The InChIKey is FCKUOAZTAPHLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-25-12-14-26(15-13-25)23(28)18-8-6-17(7-9-18)22-16-27(19-10-11-19)24(29)21-5-3-2-4-20(21)22/h2-9,16,19H,10-15H2,1H3.
What are the key properties of 2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one?
2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one has a molecular weight of 387.48 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one is sourced from PubChem (CID 134258753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).