(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile

C17H24N2 — CID 125047353

IUPAC(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
SMILESCCCN1c2cc(C)c(C#N)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C17H24N2/c1-6-7-19-16-8-12(2)14(11-18)9-15(16)13(3)10-17(19,4)5/h8-9,13H,6-7,10H2,1-5H3/t13-/m1/s1
InChIKeyXYTZEQZCNCGLJX-CYBMUJFWSA-N
MW256.39 g/mol
LogP4.37
Rot. Bonds2

About (4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile

(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile (PubChem CID 125047353) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile.

Molecular Properties

Compound Name(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
PubChem CID125047353
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
SMILESCCCN1c2cc(C)c(C#N)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C17H24N2/c1-6-7-19-16-8-12(2)14(11-18)9-15(16)13(3)10-17(19,4)5/h8-9,13H,6-7,10H2,1-5H3/t13-/m1/s1
InChIKeyXYTZEQZCNCGLJX-CYBMUJFWSA-N
XLogP4.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 133202944
(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125046694
(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130484
(4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047022
(Z)-2-(4-chlorophenyl)-3-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enenitrile
CID 50862581
1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
CID 125047281
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862541
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
2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline
CID 59079307
[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methanamine
CID 125046682
(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanamine
CID 133198872

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
The IUPAC name of (4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile (CID 125047353) is (4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile.
What is the SMILES notation for (4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
The canonical SMILES for (4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile is CCCN1c2cc(C)c(C#N)cc2[C@H](C)CC1(C)C.
What is the InChIKey of (4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
The InChIKey is XYTZEQZCNCGLJX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-7-19-16-8-12(2)14(11-18)9-15(16)13(3)10-17(19,4)5/h8-9,13H,6-7,10H2,1-5H3/t13-/m1/s1.
What are the key properties of (4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile has a molecular weight of 256.39 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile is sourced from PubChem (CID 125047353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).