7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile

C16H21ClN2 — CID 133202944

IUPAC7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
SMILESCCCN1c2cc(Cl)c(C#N)cc2C(C)CC1(C)C
InChIInChI=1S/C16H21ClN2/c1-5-6-19-15-8-14(17)12(10-18)7-13(15)11(2)9-16(19,3)4/h7-8,11H,5-6,9H2,1-4H3
InChIKeyDTWWWQIXASWCCK-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.71
Rot. Bonds2

About 7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile

7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile (PubChem CID 133202944) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile.

Molecular Properties

Compound Name7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
PubChem CID133202944
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
SMILESCCCN1c2cc(Cl)c(C#N)cc2C(C)CC1(C)C
InChIInChI=1S/C16H21ClN2/c1-5-6-19-15-8-14(17)12(10-18)7-13(15)11(2)9-16(19,3)4/h7-8,11H,5-6,9H2,1-4H3
InChIKeyDTWWWQIXASWCCK-UHFFFAOYSA-N
XLogP4.71
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047353
(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125046694
(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-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
CID 50862972
1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine
CID 50863433
7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 50863540
1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine
CID 50863464
N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863409
[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methanamine
CID 125046682
(E)-2-cyano-N-(2,4-dichlorophenyl)-3-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 50863635
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-nitrobenzamide
CID 50862900

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
The IUPAC name of 7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile (CID 133202944) is 7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile.
What is the SMILES notation for 7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
The canonical SMILES for 7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile is CCCN1c2cc(Cl)c(C#N)cc2C(C)CC1(C)C.
What is the InChIKey of 7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
The InChIKey is DTWWWQIXASWCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-5-6-19-15-8-14(17)12(10-18)7-13(15)11(2)9-16(19,3)4/h7-8,11H,5-6,9H2,1-4H3.
What are the key properties of 7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile?
7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile has a molecular weight of 276.81 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile is sourced from PubChem (CID 133202944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).