6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride

C19H18ClNO3 — CID 42997566

IUPAC6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride
SMILESCCOc1ccc(-c2cc(C)c3cc4c(cc3n2)OCO4)cc1.Cl
InChIInChI=1S/C19H17NO3.ClH/c1-3-21-14-6-4-13(5-7-14)16-8-12(2)15-9-18-19(23-11-22-18)10-17(15)20-16;/h4-10H,3,11H2,1-2H3;1H
InChIKeyAVHIXRXXEZLCRJ-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.76
Rot. Bonds3

About 6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride

6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride (PubChem CID 42997566) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride
PubChem CID42997566
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride
SMILESCCOc1ccc(-c2cc(C)c3cc4c(cc3n2)OCO4)cc1.Cl
InChIInChI=1S/C19H17NO3.ClH/c1-3-21-14-6-4-13(5-7-14)16-8-12(2)15-9-18-19(23-11-22-18)10-17(15)20-16;/h4-10H,3,11H2,1-2H3;1H
InChIKeyAVHIXRXXEZLCRJ-UHFFFAOYSA-N
XLogP4.76
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride
CID 47006423
4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)benzonitrile;hydrochloride
CID 42997555
4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)benzonitrile
CID 30333496
8-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073739
2-[6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]acetic acid
CID 18073417
(4S)-4-ethyl-N-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2463973
tert-butyl N-[2-[4-(7-ethoxy-4-methylquinolin-2-yl)phenoxy]ethyl]-N-methylcarbamate
CID 177173321
N,8-dimethyl-[1,3]dioxolo[4,5-g]quinolin-6-amine
CID 84622210
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
[5-(4-ethoxyphenyl)-2-(6-fluoro-4-methylquinolin-2-yl)phenyl]phosphane
CID 170148962
6-methyl-8-[(6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-yl)disulfanyl]-[1,3]dioxolo[4,5-g]quinazoline
CID 13085991
8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline
CID 91664973

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride?
The IUPAC name of 6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride (CID 42997566) is 6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride.
What is the SMILES notation for 6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride?
The canonical SMILES for 6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride is CCOc1ccc(-c2cc(C)c3cc4c(cc3n2)OCO4)cc1.Cl.
What is the InChIKey of 6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride?
The InChIKey is AVHIXRXXEZLCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3.ClH/c1-3-21-14-6-4-13(5-7-14)16-8-12(2)15-9-18-19(23-11-22-18)10-17(15)20-16;/h4-10H,3,11H2,1-2H3;1H.
What are the key properties of 6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride?
6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride is sourced from PubChem (CID 42997566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).