3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H19N3O2 — CID 167945675

IUPAC3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC1Cc2ccccc2CN1C(=O)Nc1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C20H19N3O2/c1-13-11-14-5-2-3-6-15(14)12-23(13)20(25)22-18-8-4-7-17-16(18)9-10-21-19(17)24/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyMPXUNUWNYNRZNR-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.51
Rot. Bonds1

About 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 167945675) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID167945675
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC1Cc2ccccc2CN1C(=O)Nc1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C20H19N3O2/c1-13-11-14-5-2-3-6-15(14)12-23(13)20(25)22-18-8-4-7-17-16(18)9-10-21-19(17)24/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyMPXUNUWNYNRZNR-UHFFFAOYSA-N
XLogP3.51
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

(3R,4S)-3-cyclopropyl-4-hydroxy-N-(1-oxo-2H-isoquinolin-5-yl)pyrrolidine-1-carboxamide
CID 167901515
2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide
CID 52936895
N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110750027
5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide
CID 167909360
4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide
CID 52936781
(E)-3-cyclobutyl-N-(1-oxo-2H-isoquinolin-5-yl)prop-2-enamide
CID 166236276
2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
CID 167952573
3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one
CID 110750155
[4-(aminomethyl)phenyl]-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 141381510
(3-aminophenyl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 124612184
(3R)-N-(1H-indol-4-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 94797600
N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide
CID 121452523

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 167945675) is 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC1Cc2ccccc2CN1C(=O)Nc1cccc2c(=O)[nH]ccc12.
What is the InChIKey of 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is MPXUNUWNYNRZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-11-14-5-2-3-6-15(14)12-23(13)20(25)22-18-8-4-7-17-16(18)9-10-21-19(17)24/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 167945675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).