4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline

C17H20ClNO2 — CID 22054525

IUPAC4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline
SMILESCc1cc(Cl)c2cc(C)c(COC3CCCCO3)cc2n1
InChIInChI=1S/C17H20ClNO2/c1-11-7-14-15(18)8-12(2)19-16(14)9-13(11)10-21-17-5-3-4-6-20-17/h7-9,17H,3-6,10H2,1-2H3
InChIKeyAVMRBHDHNUEGNT-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.55
Rot. Bonds3

About 4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline

4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline (PubChem CID 22054525) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline.

Molecular Properties

Compound Name4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline
PubChem CID22054525
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline
SMILESCc1cc(Cl)c2cc(C)c(COC3CCCCO3)cc2n1
InChIInChI=1S/C17H20ClNO2/c1-11-7-14-15(18)8-12(2)19-16(14)9-13(11)10-21-17-5-3-4-6-20-17/h7-9,17H,3-6,10H2,1-2H3
InChIKeyAVMRBHDHNUEGNT-UHFFFAOYSA-N
XLogP4.55
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,6-dimethyl-7-[[(2S)-oxan-2-yl]oxymethyl]quinolin-4-yl]pyrrolidin-3-ol;hydrochloride
CID 23519772
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 71233408
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102529916
[2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane
CID 102224181
5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde
CID 154937589
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-chloro-4-(oxan-2-yloxymethyl)pyridine
CID 86090104
3-chloro-2-(oxan-2-yloxymethyl)pyridine
CID 168944061
1-benzofuran-2-yl-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 122374661

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline?
The IUPAC name of 4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline (CID 22054525) is 4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline.
What is the SMILES notation for 4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline?
The canonical SMILES for 4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline is Cc1cc(Cl)c2cc(C)c(COC3CCCCO3)cc2n1.
What is the InChIKey of 4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline?
The InChIKey is AVMRBHDHNUEGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-7-14-15(18)8-12(2)19-16(14)9-13(11)10-21-17-5-3-4-6-20-17/h7-9,17H,3-6,10H2,1-2H3.
What are the key properties of 4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline?
4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline has a molecular weight of 305.81 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline is sourced from PubChem (CID 22054525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).