7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde

C16H22FNO — CID 50863540

IUPAC7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
SMILESCCCN1c2cc(F)c(C=O)cc2C(C)CC1(C)C
InChIInChI=1S/C16H22FNO/c1-5-6-18-15-8-14(17)12(10-19)7-13(15)11(2)9-16(18,3)4/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyAHICXGUTBDQLQD-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.14
Rot. Bonds3

About 7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde

7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde (PubChem CID 50863540) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
PubChem CID50863540
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
SMILESCCCN1c2cc(F)c(C=O)cc2C(C)CC1(C)C
InChIInChI=1S/C16H22FNO/c1-5-6-18-15-8-14(17)12(10-19)7-13(15)11(2)9-16(18,3)4/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyAHICXGUTBDQLQD-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.14
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

(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130484
N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863534
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine
CID 50863707
N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863596
N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50863699
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine
CID 50863451
(5Z)-5-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 50863327
3-bromo-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50863341
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
CID 50863496
3-chloro-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50863444
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-iodobenzamide
CID 50863276
(5Z)-1-(3-bromophenyl)-5-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50863585

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde?
The IUPAC name of 7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde (CID 50863540) is 7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde.
What is the SMILES notation for 7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde?
The canonical SMILES for 7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde is CCCN1c2cc(F)c(C=O)cc2C(C)CC1(C)C.
What is the InChIKey of 7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde?
The InChIKey is AHICXGUTBDQLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-5-6-18-15-8-14(17)12(10-19)7-13(15)11(2)9-16(18,3)4/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde?
7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde has a molecular weight of 263.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde is sourced from PubChem (CID 50863540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).