N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C25H29N3O4 — CID 15999652

IUPACN,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1cn(C)c2ccccc12
InChIInChI=1S/C25H29N3O4/c1-27-16-20(17-8-6-7-11-21(17)27)23-22(24(29)26-12-14-31-2)18-9-4-5-10-19(18)25(30)28(23)13-15-32-3/h4-11,16,22-23H,12-15H2,1-3H3,(H,26,29)
InChIKeyGWYJSIGTPPMQGR-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.87
Rot. Bonds8

About N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 15999652) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID15999652
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1cn(C)c2ccccc12
InChIInChI=1S/C25H29N3O4/c1-27-16-20(17-8-6-7-11-21(17)27)23-22(24(29)26-12-14-31-2)18-9-4-5-10-19(18)25(30)28(23)13-15-32-3/h4-11,16,22-23H,12-15H2,1-3H3,(H,26,29)
InChIKeyGWYJSIGTPPMQGR-UHFFFAOYSA-N
XLogP2.87
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 15995298
2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 71169012
2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 143540174
(3R,4S)-N-(2-bromo-4-methylphenyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 94850577
(3R,4S)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-[(2R)-2-methylpiperidine-1-carbonyl]-3,4-dihydroisoquinolin-1-one
CID 99755123
(3R,4R)-2-(2-methoxyethyl)-N-(3-methoxypropyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 93020485
(3S,4R)-N-(2-methoxyethyl)-1-oxo-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 93020743
(3R,4S)-2-(2-methoxyethyl)-1-oxo-3-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 93135594
2-(2-methoxyethyl)-1-oxo-3-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 42883093
2-(2-methoxyethyl)-1-oxo-N-(3-propan-2-yloxypropyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 22549119
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 143540075
(3R,4S)-2-(2-methoxyethyl)-1-oxo-3-phenyl-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 93020434

Frequently Asked Questions

What is the IUPAC name of N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 15999652) is N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is COCCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1cn(C)c2ccccc12.
What is the InChIKey of N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is GWYJSIGTPPMQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-27-16-20(17-8-6-7-11-21(17)27)23-22(24(29)26-12-14-31-2)18-9-4-5-10-19(18)25(30)28(23)13-15-32-3/h4-11,16,22-23H,12-15H2,1-3H3,(H,26,29).
What are the key properties of N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 15999652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).