2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one

C19H20N2O2 — CID 17472682

IUPAC2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCc3ccccc3C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H20N2O2/c1-12-17-15(7-4-8-16(17)22)20-18(12)19(23)21-10-9-13-5-2-3-6-14(13)11-21/h2-3,5-6,20H,4,7-11H2,1H3
InChIKeySVRVSEBXPWFDTB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.04
Rot. Bonds1

About 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 17472682) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID17472682
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCc3ccccc3C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H20N2O2/c1-12-17-15(7-4-8-16(17)22)20-18(12)19(23)21-10-9-13-5-2-3-6-14(13)11-21/h2-3,5-6,20H,4,7-11H2,1H3
InChIKeySVRVSEBXPWFDTB-UHFFFAOYSA-N
XLogP3.04
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one with MolForge

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Related Compounds

2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 32522716
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 84578712
3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24682704
2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride
CID 120814437
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 31137344
3-methyl-2-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one
CID 47021078
3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24671510
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37345240
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24574939
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 36674970

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one (CID 17472682) is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one is Cc1c(C(=O)N2CCc3ccccc3C2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is SVRVSEBXPWFDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-17-15(7-4-8-16(17)22)20-18(12)19(23)21-10-9-13-5-2-3-6-14(13)11-21/h2-3,5-6,20H,4,7-11H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one?
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 308.38 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 17472682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).