(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde

C17H25NO — CID 99130484

IUPAC(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
SMILESCCCN1c2cc(C)c(C=O)cc2[C@@H](C)CC1(C)C
InChIInChI=1S/C17H25NO/c1-6-7-18-16-8-12(2)14(11-19)9-15(16)13(3)10-17(18,4)5/h8-9,11,13H,6-7,10H2,1-5H3/t13-/m0/s1
InChIKeyJFXBAKNXAQWLGE-ZDUSSCGKSA-N
MW259.39 g/mol
LogP4.31
Rot. Bonds3

About (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde

(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde (PubChem CID 99130484) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
PubChem CID99130484
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
SMILESCCCN1c2cc(C)c(C=O)cc2[C@@H](C)CC1(C)C
InChIInChI=1S/C17H25NO/c1-6-7-18-16-8-12(2)14(11-19)9-15(16)13(3)10-17(18,4)5/h8-9,11,13H,6-7,10H2,1-5H3/t13-/m0/s1
InChIKeyJFXBAKNXAQWLGE-ZDUSSCGKSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 50863540
(5Z)-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50862557
(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047353
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862541
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862689
(5Z)-3-butan-2-yl-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50862730
(5Z)-1-(4-ethylphenyl)-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50862935
(5E)-3-benzyl-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50862816
(Z)-2-(4-chlorophenyl)-3-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enenitrile
CID 50862581
3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862678
(5Z)-1-(4-bromophenyl)-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50862507
3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide
CID 50862606

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde?
The IUPAC name of (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde (CID 99130484) is (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde.
What is the SMILES notation for (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde?
The canonical SMILES for (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde is CCCN1c2cc(C)c(C=O)cc2[C@@H](C)CC1(C)C.
What is the InChIKey of (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde?
The InChIKey is JFXBAKNXAQWLGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-7-18-16-8-12(2)14(11-19)9-15(16)13(3)10-17(18,4)5/h8-9,11,13H,6-7,10H2,1-5H3/t13-/m0/s1.
What are the key properties of (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde?
(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde has a molecular weight of 259.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde is sourced from PubChem (CID 99130484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).