3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde

C22H23NO3 — CID 10360443

IUPAC3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde
SMILESCCCC1Cc2cc(OC)ccc2-c2c(C=O)c3cc(OC)ccc3n21
InChIInChI=1S/C22H23NO3/c1-4-5-15-10-14-11-16(25-2)6-8-18(14)22-20(13-24)19-12-17(26-3)7-9-21(19)23(15)22/h6-9,11-13,15H,4-5,10H2,1-3H3
InChIKeyNXJOUZSKPIXSDN-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.04
Rot. Bonds5

About 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde

3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde (PubChem CID 10360443) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde.

Molecular Properties

Compound Name3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde
PubChem CID10360443
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde
SMILESCCCC1Cc2cc(OC)ccc2-c2c(C=O)c3cc(OC)ccc3n21
InChIInChI=1S/C22H23NO3/c1-4-5-15-10-14-11-16(25-2)6-8-18(14)22-20(13-24)19-12-17(26-3)7-9-21(19)23(15)22/h6-9,11-13,15H,4-5,10H2,1-3H3
InChIKeyNXJOUZSKPIXSDN-UHFFFAOYSA-N
XLogP5.04
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde with MolForge

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Related Compounds

(9-acetyloxy-12-formyl-6-propyl-5,6-dihydroindolo[2,1-a]isoquinolin-3-yl) acetate
CID 10408995
(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 98053581
2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde
CID 20616848
2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde
CID 139932303
6-butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;6-butyl-3,10-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium
CID 6712889
16-ethyl-6-methoxy-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,4(9),5,7-tetraene-3-carbaldehyde
CID 75148940
11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole
CID 68565618
2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
CID 117201471
1-ethyl-5-methoxyindole-3-carbaldehyde
CID 3162229
5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052764
3-(2,2-dimethylpropyl)-6-methoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 20608553
(E)-3-(2-chloro-5-methoxy-1-propylindol-3-yl)-2-methylprop-2-enoic acid
CID 82268884

Frequently Asked Questions

What is the IUPAC name of 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde?
The IUPAC name of 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde (CID 10360443) is 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde.
What is the SMILES notation for 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde?
The canonical SMILES for 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde is CCCC1Cc2cc(OC)ccc2-c2c(C=O)c3cc(OC)ccc3n21.
What is the InChIKey of 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde?
The InChIKey is NXJOUZSKPIXSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-4-5-15-10-14-11-16(25-2)6-8-18(14)22-20(13-24)19-12-17(26-3)7-9-21(19)23(15)22/h6-9,11-13,15H,4-5,10H2,1-3H3.
What are the key properties of 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde?
3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde has a molecular weight of 349.43 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde is sourced from PubChem (CID 10360443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).