7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline

C20H30ClNO — CID 21407669

IUPAC7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline
SMILESCC1CC(C)(C)N(CCOC2CCCCC2)c2cc(Cl)ccc21
InChIInChI=1S/C20H30ClNO/c1-15-14-20(2,3)22(19-13-16(21)9-10-18(15)19)11-12-23-17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3
InChIKeyBHMUQVRWRNRCHY-UHFFFAOYSA-N
MW335.92 g/mol
LogP5.78
Rot. Bonds4

About 7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline

7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline (PubChem CID 21407669) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is 7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline.

Molecular Properties

Compound Name7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline
PubChem CID21407669
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC Name7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline
SMILESCC1CC(C)(C)N(CCOC2CCCCC2)c2cc(Cl)ccc21
InChIInChI=1S/C20H30ClNO/c1-15-14-20(2,3)22(19-13-16(21)9-10-18(15)19)11-12-23-17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3
InChIKeyBHMUQVRWRNRCHY-UHFFFAOYSA-N
XLogP5.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.92
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline
CID 21498615
1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,2,4-trimethyl-3,4-dihydroquinoline
CID 21407659
N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863596
2,2,4-trimethyl-1-(2-phenylmethoxyethyl)-3,4-dihydroquinoline
CID 21407626
[1-acetyloxy-3-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)propyl] acetate
CID 57307043
5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
CID 63826682
(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide
CID 125047320
2,2,4,7-tetramethyl-1-(2-sulfosulfanylethyl)-3,4-dihydroquinoline
CID 70544218
sodium 2,2,4,7-tetramethyl-1-(2-sulfonatosulfanylethyl)-3,4-dihydroquinoline
CID 70570146
(Z)-2-(4-chlorophenyl)-3-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enenitrile
CID 50862581
7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 133202944
5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
CID 63828806

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline?
The IUPAC name of 7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline (CID 21407669) is 7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline.
What is the SMILES notation for 7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline?
The canonical SMILES for 7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline is CC1CC(C)(C)N(CCOC2CCCCC2)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline?
The InChIKey is BHMUQVRWRNRCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO/c1-15-14-20(2,3)22(19-13-16(21)9-10-18(15)19)11-12-23-17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3.
What are the key properties of 7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline?
7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline has a molecular weight of 335.92 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-cyclohexyloxyethyl)-2,2,4-trimethyl-3,4-dihydroquinoline is sourced from PubChem (CID 21407669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).