4-ethyl-2-methylquinoline-3-carbaldehyde

C13H13NO — CID 178074817

IUPAC4-ethyl-2-methylquinoline-3-carbaldehyde
SMILESCCc1c(C=O)c(C)nc2ccccc12
InChIInChI=1S/C13H13NO/c1-3-10-11-6-4-5-7-13(11)14-9(2)12(10)8-15/h4-8H,3H2,1-2H3
InChIKeyFPBZEIKVXSCNMN-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.92
Rot. Bonds2

About 4-ethyl-2-methylquinoline-3-carbaldehyde

4-ethyl-2-methylquinoline-3-carbaldehyde (PubChem CID 178074817) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-ethyl-2-methylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-2-methylquinoline-3-carbaldehyde
PubChem CID178074817
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4-ethyl-2-methylquinoline-3-carbaldehyde
SMILESCCc1c(C=O)c(C)nc2ccccc12
InChIInChI=1S/C13H13NO/c1-3-10-11-6-4-5-7-13(11)14-9(2)12(10)8-15/h4-8H,3H2,1-2H3
InChIKeyFPBZEIKVXSCNMN-UHFFFAOYSA-N
XLogP2.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.92
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-ethyl-2-methylquinoline-3-carboxamide
CID 167809004
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
3-hex-1-enyl-2,4-dimethylquinoline
CID 70124767
4-chloro-3-ethenyl-2-methylquinoline
CID 58125410
4-ethyl-1-methyl-3-phenylisoquinoline
CID 44606951
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
9-butylacridine
CID 606127
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde
CID 15125346
3-methylquinoxaline-2-carbaldehyde
CID 588800
1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane
CID 157427941
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylquinoline-3-carbaldehyde?
The IUPAC name of 4-ethyl-2-methylquinoline-3-carbaldehyde (CID 178074817) is 4-ethyl-2-methylquinoline-3-carbaldehyde.
What is the SMILES notation for 4-ethyl-2-methylquinoline-3-carbaldehyde?
The canonical SMILES for 4-ethyl-2-methylquinoline-3-carbaldehyde is CCc1c(C=O)c(C)nc2ccccc12.
What is the InChIKey of 4-ethyl-2-methylquinoline-3-carbaldehyde?
The InChIKey is FPBZEIKVXSCNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-3-10-11-6-4-5-7-13(11)14-9(2)12(10)8-15/h4-8H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-methylquinoline-3-carbaldehyde?
4-ethyl-2-methylquinoline-3-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylquinoline-3-carbaldehyde is sourced from PubChem (CID 178074817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).