(1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H21N3O3 — CID 97452815

IUPAC(1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)[C@H](C)N(C(=O)Nc1ccc3c(c1)CC(=O)N3)CC2
InChIInChI=1S/C20H21N3O3/c1-12-17-11-16(26-2)5-3-13(17)7-8-23(12)20(25)21-15-4-6-18-14(9-15)10-19(24)22-18/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,25)(H,22,24)/t12-/m0/s1
InChIKeyOYFABGUQFFFXHG-LBPRGKRZSA-N
MW351.41 g/mol
LogP3.34
Rot. Bonds2

About (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

(1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 97452815) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name(1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID97452815
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)[C@H](C)N(C(=O)Nc1ccc3c(c1)CC(=O)N3)CC2
InChIInChI=1S/C20H21N3O3/c1-12-17-11-16(26-2)5-3-13(17)7-8-23(12)20(25)21-15-4-6-18-14(9-15)10-19(24)22-18/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,25)(H,22,24)/t12-/m0/s1
InChIKeyOYFABGUQFFFXHG-LBPRGKRZSA-N
XLogP3.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

2-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 72867925
1-(2,4-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375576
7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 74236196
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
1-(2,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113917
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 97444027
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide
CID 71796490
(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 110289237
(2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289200
1-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenoxyethanone
CID 110289217
2-cyclopentyl-1-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110354362
(2-fluorophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289197

Frequently Asked Questions

What is the IUPAC name of (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 97452815) is (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1ccc2c(c1)[C@H](C)N(C(=O)Nc1ccc3c(c1)CC(=O)N3)CC2.
What is the InChIKey of (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is OYFABGUQFFFXHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-17-11-16(26-2)5-3-13(17)7-8-23(12)20(25)21-15-4-6-18-14(9-15)10-19(24)22-18/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,25)(H,22,24)/t12-/m0/s1.
What are the key properties of (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
(1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 97452815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).