4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde

C14H15NO2 — CID 22493610

IUPAC4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde
SMILESCOc1cc(C=O)nc2c(C(C)C)cccc12
InChIInChI=1S/C14H15NO2/c1-9(2)11-5-4-6-12-13(17-3)7-10(8-16)15-14(11)12/h4-9H,1-3H3
InChIKeyCPLDWYCPYWZCCG-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.18
Rot. Bonds3

About 4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde

4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde (PubChem CID 22493610) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde
PubChem CID22493610
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde
SMILESCOc1cc(C=O)nc2c(C(C)C)cccc12
InChIInChI=1S/C14H15NO2/c1-9(2)11-5-4-6-12-13(17-3)7-10(8-16)15-14(11)12/h4-9H,1-3H3
InChIKeyCPLDWYCPYWZCCG-UHFFFAOYSA-N
XLogP3.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,8-dimethoxyquinoline-2-carbaldehyde
CID 23125776
methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983
6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
CID 118848622
6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde
CID 82299639
5-methoxyisoquinoline-3-carbaldehyde
CID 91262659
6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde
CID 116857718
1-ethyl-7-methoxy-6-propan-2-ylnaphthalene
CID 14828144
1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
CID 82448088
6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde
CID 169180708
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081
4-propan-2-yl-1,3-benzothiazole-2-carbaldehyde
CID 84620576
4-methoxyquinoline-8-carbaldehyde
CID 171397329

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde?
The IUPAC name of 4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde (CID 22493610) is 4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde?
The canonical SMILES for 4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde is COc1cc(C=O)nc2c(C(C)C)cccc12.
What is the InChIKey of 4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde?
The InChIKey is CPLDWYCPYWZCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(2)11-5-4-6-12-13(17-3)7-10(8-16)15-14(11)12/h4-9H,1-3H3.
What are the key properties of 4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde?
4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde is sourced from PubChem (CID 22493610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).