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

C17H24N2O — CID 125046694

IUPAC(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
SMILESCCCN1c2cc(OC)c(C#N)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C17H24N2O/c1-6-7-19-15-9-16(20-5)13(11-18)8-14(15)12(2)10-17(19,3)4/h8-9,12H,6-7,10H2,1-5H3/t12-/m1/s1
InChIKeyLMBQPZAJJWONAX-GFCCVEGCSA-N
MW272.39 g/mol
LogP4.07
Rot. Bonds3

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

(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile (PubChem CID 125046694) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile.

Molecular Properties

Compound Name(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
PubChem CID125046694
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
SMILESCCCN1c2cc(OC)c(C#N)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C17H24N2O/c1-6-7-19-15-9-16(20-5)13(11-18)8-14(15)12(2)10-17(19,3)4/h8-9,12H,6-7,10H2,1-5H3/t12-/m1/s1
InChIKeyLMBQPZAJJWONAX-GFCCVEGCSA-N
XLogP4.07
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile with MolForge

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Related Compounds

(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
[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methanamine
CID 125046682
7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
CID 133202957
N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047021
1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
CID 133203032
(4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047022
N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047278
(E)-2-cyano-N-(2-ethylphenyl)-3-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 50863757
(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130482
(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanamine
CID 133203005
N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863685

Frequently Asked Questions

What is the IUPAC name of (4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
The IUPAC name of (4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile (CID 125046694) is (4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile.
What is the SMILES notation for (4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
The canonical SMILES for (4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile is CCCN1c2cc(OC)c(C#N)cc2[C@H](C)CC1(C)C.
What is the InChIKey of (4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
The InChIKey is LMBQPZAJJWONAX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-7-19-15-9-16(20-5)13(11-18)8-14(15)12(2)10-17(19,3)4/h8-9,12H,6-7,10H2,1-5H3/t12-/m1/s1.
What are the key properties of (4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile has a molecular weight of 272.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile is sourced from PubChem (CID 125046694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).