(4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile

C15H19FN2 — CID 125047022

IUPAC(4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile
SMILESCCN1c2cc(F)c(C#N)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C15H19FN2/c1-5-18-14-7-13(16)11(9-17)6-12(14)10(2)8-15(18,3)4/h6-7,10H,5,8H2,1-4H3/t10-/m1/s1
InChIKeySDQIUMBXMSRHRL-SNVBAGLBSA-N
MW246.33 g/mol
LogP3.81
Rot. Bonds1

About (4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile

(4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile (PubChem CID 125047022) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is (4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile.

Molecular Properties

Compound Name(4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile
PubChem CID125047022
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name(4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile
SMILESCCN1c2cc(F)c(C#N)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C15H19FN2/c1-5-18-14-7-13(16)11(9-17)6-12(14)10(2)8-15(18,3)4/h6-7,10H,5,8H2,1-4H3/t10-/m1/s1
InChIKeySDQIUMBXMSRHRL-SNVBAGLBSA-N
XLogP3.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

(4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
CID 125046149
(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047353
7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 133202944
(Z)-2-(3-bromophenyl)-3-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enenitrile
CID 50861206
2-cyano-N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 50861350
(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125046694
(E)-3-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 50861230
N,N-diethyl-4-[(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
CID 50861679
1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
CID 50861559
(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanamine
CID 133198872
7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 50863540
1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202959

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile?
The IUPAC name of (4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile (CID 125047022) is (4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile.
What is the SMILES notation for (4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile?
The canonical SMILES for (4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile is CCN1c2cc(F)c(C#N)cc2[C@H](C)CC1(C)C.
What is the InChIKey of (4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile?
The InChIKey is SDQIUMBXMSRHRL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19FN2/c1-5-18-14-7-13(16)11(9-17)6-12(14)10(2)8-15(18,3)4/h6-7,10H,5,8H2,1-4H3/t10-/m1/s1.
What are the key properties of (4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile?
(4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile is sourced from PubChem (CID 125047022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).