(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde

C16H23NO2 — CID 99130482

IUPAC(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
SMILESCCN1c2cc(OC)c(C=O)cc2[C@@H](C)CC1(C)C
InChIInChI=1S/C16H23NO2/c1-6-17-14-8-15(19-5)12(10-18)7-13(14)11(2)9-16(17,3)4/h7-8,10-11H,6,9H2,1-5H3/t11-/m0/s1
InChIKeyRNPSQMXDPGWMJL-NSHDSACASA-N
MW261.37 g/mol
LogP3.62
Rot. Bonds3

About (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde

(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde (PubChem CID 99130482) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
PubChem CID99130482
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
SMILESCCN1c2cc(OC)c(C=O)cc2[C@@H](C)CC1(C)C
InChIInChI=1S/C16H23NO2/c1-6-17-14-8-15(19-5)12(10-18)7-13(14)11(2)9-16(17,3)4/h7-8,10-11H,6,9H2,1-5H3/t11-/m0/s1
InChIKeyRNPSQMXDPGWMJL-NSHDSACASA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde with MolForge

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Launch Full Analysis

Related Compounds

[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 50861940
(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanamine
CID 133203005
N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862167
1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50861711
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 50862037
1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine
CID 50861593
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide
CID 50861833
5-chloro-2-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenol
CID 50861788
(Z)-2-(4-chlorophenyl)-3-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enenitrile
CID 50861778
methyl 4-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-methylbenzoate
CID 50862176
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 50862079
N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
CID 50861871

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde?
The IUPAC name of (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde (CID 99130482) is (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde.
What is the SMILES notation for (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde?
The canonical SMILES for (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde is CCN1c2cc(OC)c(C=O)cc2[C@@H](C)CC1(C)C.
What is the InChIKey of (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde?
The InChIKey is RNPSQMXDPGWMJL-NSHDSACASA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-17-14-8-15(19-5)12(10-18)7-13(14)11(2)9-16(17,3)4/h7-8,10-11H,6,9H2,1-5H3/t11-/m0/s1.
What are the key properties of (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde?
(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde has a molecular weight of 261.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde is sourced from PubChem (CID 99130482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).