1,5-dimethylisoquinoline-3-carbaldehyde

C12H11NO — CID 83528029

IUPAC1,5-dimethylisoquinoline-3-carbaldehyde
SMILESCc1cccc2c(C)nc(C=O)cc12
InChIInChI=1S/C12H11NO/c1-8-4-3-5-11-9(2)13-10(7-14)6-12(8)11/h3-7H,1-2H3
InChIKeyCDSLTXUJVPOGRH-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.66
Rot. Bonds1

About 1,5-dimethylisoquinoline-3-carbaldehyde

1,5-dimethylisoquinoline-3-carbaldehyde (PubChem CID 83528029) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1,5-dimethylisoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1,5-dimethylisoquinoline-3-carbaldehyde
PubChem CID83528029
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1,5-dimethylisoquinoline-3-carbaldehyde
SMILESCc1cccc2c(C)nc(C=O)cc12
InChIInChI=1S/C12H11NO/c1-8-4-3-5-11-9(2)13-10(7-14)6-12(8)11/h3-7H,1-2H3
InChIKeyCDSLTXUJVPOGRH-UHFFFAOYSA-N
XLogP2.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylquinoline-2-carbaldehyde
CID 12735795
8-fluoro-4-methylquinoline-2-carbaldehyde
CID 82573796
2,5-dimethylquinoline-3-carbaldehyde
CID 163549311
1,5-dimethylnaphthalene
CID 162159355
4-(methylamino)quinoline-2-carbaldehyde
CID 142024899
2,6-dimethylpyrimidine-4-carbaldehyde
CID 22185220
methane;2,4,8-trimethylquinazoline
CID 159057761
2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde
CID 115034432
6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
CID 114755476
4,8-dimethoxyquinoline-2-carbaldehyde
CID 23125776
5,8-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975
1-chloro-3,5-dimethylisoquinoline
CID 88921604

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylisoquinoline-3-carbaldehyde?
The IUPAC name of 1,5-dimethylisoquinoline-3-carbaldehyde (CID 83528029) is 1,5-dimethylisoquinoline-3-carbaldehyde.
What is the SMILES notation for 1,5-dimethylisoquinoline-3-carbaldehyde?
The canonical SMILES for 1,5-dimethylisoquinoline-3-carbaldehyde is Cc1cccc2c(C)nc(C=O)cc12.
What is the InChIKey of 1,5-dimethylisoquinoline-3-carbaldehyde?
The InChIKey is CDSLTXUJVPOGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-8-4-3-5-11-9(2)13-10(7-14)6-12(8)11/h3-7H,1-2H3.
What are the key properties of 1,5-dimethylisoquinoline-3-carbaldehyde?
1,5-dimethylisoquinoline-3-carbaldehyde has a molecular weight of 185.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylisoquinoline-3-carbaldehyde is sourced from PubChem (CID 83528029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).