6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one

C22H30N2O4 — CID 5322754

IUPAC6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one
SMILESCOc1cc2c(C(=O)N3CCC(C)CC3)cn(CC(C)C)c(=O)c2cc1OC
InChIInChI=1S/C22H30N2O4/c1-14(2)12-24-13-18(22(26)23-8-6-15(3)7-9-23)16-10-19(27-4)20(28-5)11-17(16)21(24)25/h10-11,13-15H,6-9,12H2,1-5H3
InChIKeyNPEASGQTTJLKAS-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.55
Rot. Bonds5

About 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one

6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one (PubChem CID 5322754) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one
PubChem CID5322754
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one
SMILESCOc1cc2c(C(=O)N3CCC(C)CC3)cn(CC(C)C)c(=O)c2cc1OC
InChIInChI=1S/C22H30N2O4/c1-14(2)12-24-13-18(22(26)23-8-6-15(3)7-9-23)16-10-19(27-4)20(28-5)11-17(16)21(24)25/h10-11,13-15H,6-9,12H2,1-5H3
InChIKeyNPEASGQTTJLKAS-UHFFFAOYSA-N
XLogP3.55
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carbonyl]piperidine-4-carboxamide
CID 5322774
ethyl 1-[6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carbonyl]piperidine-4-carboxylate
CID 5322748
6,7-dimethoxy-2-(2-methylpropyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one
CID 5322758
6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3566558
2-ethyl-6,7-dimethoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)isoquinolin-1-one
CID 71565996
2-ethyl-6,7-dimethoxy-4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 71565998
4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one
CID 71565997
2-ethyl-1-(2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 129111305
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one
CID 15996575
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 22422729
(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone
CID 55949816
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one?
The IUPAC name of 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one (CID 5322754) is 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one.
What is the SMILES notation for 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one?
The canonical SMILES for 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one is COc1cc2c(C(=O)N3CCC(C)CC3)cn(CC(C)C)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one?
The InChIKey is NPEASGQTTJLKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-14(2)12-24-13-18(22(26)23-8-6-15(3)7-9-23)16-10-19(27-4)20(28-5)11-17(16)21(24)25/h10-11,13-15H,6-9,12H2,1-5H3.
What are the key properties of 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one?
6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one has a molecular weight of 386.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one is sourced from PubChem (CID 5322754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).