8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde

C14H15NO3 — CID 84631857

IUPAC8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde
SMILESCOc1ccc(C)c2c(C)c(C=O)c(=O)n(C)c12
InChIInChI=1S/C14H15NO3/c1-8-5-6-11(18-4)13-12(8)9(2)10(7-16)14(17)15(13)3/h5-7H,1-4H3
InChIKeySODNKRDEJUQUCC-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.98
Rot. Bonds2

About 8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde

8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 84631857) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde
PubChem CID84631857
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde
SMILESCOc1ccc(C)c2c(C)c(C=O)c(=O)n(C)c12
InChIInChI=1S/C14H15NO3/c1-8-5-6-11(18-4)13-12(8)9(2)10(7-16)14(17)15(13)3/h5-7H,1-4H3
InChIKeySODNKRDEJUQUCC-UHFFFAOYSA-N
XLogP1.98
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.98
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

1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
2-formyl-6-methoxy-3-methylbenzoyl chloride
CID 171022028
8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84623267
7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 82373470
N-(2-formyl-6-methoxy-3-methylphenyl)acetamide
CID 84779440
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82495192
6-methoxy-9,10-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84626274
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
2-(2-bromoacetyl)-3-methoxy-6-methylbenzaldehyde
CID 171022450
7-methoxy-1,3-dimethylindole-2-carbaldehyde
CID 82491728
5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione
CID 10060652
7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84623265

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde (CID 84631857) is 8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde is COc1ccc(C)c2c(C)c(C=O)c(=O)n(C)c12.
What is the InChIKey of 8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is SODNKRDEJUQUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-5-6-11(18-4)13-12(8)9(2)10(7-16)14(17)15(13)3/h5-7H,1-4H3.
What are the key properties of 8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde?
8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde has a molecular weight of 245.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 84631857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).