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

C16H21FN2 — CID 125046149

IUPAC(4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
SMILESCC(C)N1c2cc(F)c(C#N)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C16H21FN2/c1-10(2)19-15-7-14(17)12(9-18)6-13(15)11(3)8-16(19,4)5/h6-7,10-11H,8H2,1-5H3/t11-/m1/s1
InChIKeyAQMQHSMBQBTUGA-LLVKDONJSA-N
MW260.36 g/mol
LogP4.20
Rot. Bonds1

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

(4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile (PubChem CID 125046149) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is (4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile.

Molecular Properties

Compound Name(4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
PubChem CID125046149
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name(4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
SMILESCC(C)N1c2cc(F)c(C#N)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C16H21FN2/c1-10(2)19-15-7-14(17)12(9-18)6-13(15)11(3)8-16(19,4)5/h6-7,10-11H,8H2,1-5H3/t11-/m1/s1
InChIKeyAQMQHSMBQBTUGA-LLVKDONJSA-N
XLogP4.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile with MolForge

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Related Compounds

7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
CID 133202957
(4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047022
2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202967
1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
CID 125046947
(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047353
(7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methanamine
CID 133203007
7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 133202944
N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047352
(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125046694
N-(4-methylphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine
CID 125043844
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044341
(2R)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044340

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile?
The IUPAC name of (4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile (CID 125046149) is (4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile.
What is the SMILES notation for (4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile?
The canonical SMILES for (4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile is CC(C)N1c2cc(F)c(C#N)cc2[C@H](C)CC1(C)C.
What is the InChIKey of (4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile?
The InChIKey is AQMQHSMBQBTUGA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21FN2/c1-10(2)19-15-7-14(17)12(9-18)6-13(15)11(3)8-16(19,4)5/h6-7,10-11H,8H2,1-5H3/t11-/m1/s1.
What are the key properties of (4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile?
(4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile has a molecular weight of 260.36 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile is sourced from PubChem (CID 125046149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).