2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde

C19H17NO3 — CID 139932303

IUPAC2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde
SMILESCOc1ccc2c(c1)-c1c(C=O)c3ccc(OC)cc3n1CC2
InChIInChI=1S/C19H17NO3/c1-22-13-4-3-12-7-8-20-18-10-14(23-2)5-6-15(18)17(11-21)19(20)16(12)9-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyZZJCSYIFPIOYAE-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.69
Rot. Bonds3

About 2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde

2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde (PubChem CID 139932303) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde.

Molecular Properties

Compound Name2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde
PubChem CID139932303
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde
SMILESCOc1ccc2c(c1)-c1c(C=O)c3ccc(OC)cc3n1CC2
InChIInChI=1S/C19H17NO3/c1-22-13-4-3-12-7-8-20-18-10-14(23-2)5-6-15(18)17(11-21)19(20)16(12)9-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyZZJCSYIFPIOYAE-UHFFFAOYSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-9-(4-methoxyphenyl)-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 139932228
6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde
CID 84636449
methyl 3-formyl-6-methoxy-1-methylindole-2-carboxylate
CID 4777747
8-methoxy-3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 154694313
7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde
CID 71817023
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
3-formyl-6-methoxy-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 50742419
7,12-dimethoxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-4-one
CID 21252815
(NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine
CID 88658139
3,10-dimethoxy-6-propyl-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde
CID 10360443
N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide
CID 143185583

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde?
The IUPAC name of 2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde (CID 139932303) is 2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde.
What is the SMILES notation for 2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde?
The canonical SMILES for 2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde is COc1ccc2c(c1)-c1c(C=O)c3ccc(OC)cc3n1CC2.
What is the InChIKey of 2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde?
The InChIKey is ZZJCSYIFPIOYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-13-4-3-12-7-8-20-18-10-14(23-2)5-6-15(18)17(11-21)19(20)16(12)9-13/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde?
2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde has a molecular weight of 307.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde is sourced from PubChem (CID 139932303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).