6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline

C14H14ClNO2 — CID 146169927

IUPAC6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline
SMILESCc1cc(C2COCCO2)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H14ClNO2/c1-9-6-12(14-8-17-4-5-18-14)11-7-10(15)2-3-13(11)16-9/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyCQHUPRGSXZBDGT-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.28
Rot. Bonds1

About 6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline

6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline (PubChem CID 146169927) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline.

Molecular Properties

Compound Name6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline
PubChem CID146169927
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline
SMILESCc1cc(C2COCCO2)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H14ClNO2/c1-9-6-12(14-8-17-4-5-18-14)11-7-10(15)2-3-13(11)16-9/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyCQHUPRGSXZBDGT-UHFFFAOYSA-N
XLogP3.28
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-Dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline
CID 155543412
1-(2-Chloroquinolin-3-yl)ethan-1-ol
CID 13301743
2-Hydroxymethyl-5-(2,6,7-trichloro-quinolin-4-yl)-tetrahydro-furan-3,4-diol
CID 511719
9-Oxiranyl-acridine
CID 44264635
6-Chloro-4-methoxy-2-methyl-3-phenylquinoline
CID 49782136
5-(2-Chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 70682687
4-(1,4-Dioxan-2-yl)-7-fluoro-2-methylquinoline
CID 146170128
2-Chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline
CID 12871073
2,6-Dichloroquinoline-3-methanol
CID 10680826
7-Fluoro-2-methyl-4-(oxan-2-yl)quinoline
CID 146169434
4-(1,4-Dioxan-2-yl)-6-fluoro-2-methylquinoline
CID 146169874
6-Fluoro-2-methyl-4-(oxan-2-yl)quinoline
CID 146170266

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline?
The IUPAC name of 6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline (CID 146169927) is 6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline.
What is the SMILES notation for 6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline?
The canonical SMILES for 6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline is Cc1cc(C2COCCO2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline?
The InChIKey is CQHUPRGSXZBDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9-6-12(14-8-17-4-5-18-14)11-7-10(15)2-3-13(11)16-9/h2-3,6-7,14H,4-5,8H2,1H3.
What are the key properties of 6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline?
6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline has a molecular weight of 263.72 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline is sourced from PubChem (CID 146169927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).