7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

C20H15NO6 — CID 3243558

IUPAC7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESCOC(=O)c1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc1
InChIInChI=1S/C20H15NO6/c1-25-20(24)12-4-2-11(3-5-12)15-8-14(19(22)23)13-9-17-18(10-16(13)21-15)27-7-6-26-17/h2-5,8-10H,6-7H2,1H3,(H,22,23)
InChIKeyRJXCVNCRIWCVDM-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.16
Rot. Bonds3

About 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (PubChem CID 3243558) has the molecular formula C20H15NO6 and a molecular weight of 365.34 g/mol. Its IUPAC name is 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
PubChem CID3243558
Molecular FormulaC20H15NO6
Molecular Weight365.34 g/mol
Exact Mass365.09
IUPAC Name7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESCOC(=O)c1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc1
InChIInChI=1S/C20H15NO6/c1-25-20(24)12-4-2-11(3-5-12)15-8-14(19(22)23)13-9-17-18(10-16(13)21-15)27-7-6-26-17/h2-5,8-10H,6-7H2,1H3,(H,22,23)
InChIKeyRJXCVNCRIWCVDM-UHFFFAOYSA-N
XLogP3.16
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid with MolForge

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Related Compounds

2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
6-Methoxy-2-methylquinoline-4-carboxylic acid
CID 652347
3-[(3,4,5-trimethoxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
CID 6247103
6-Methoxy-2-phenyl-4-quinolinecarboxylic acid
CID 237402
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid
CID 673703
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325
4-(6,7-Dimethoxy-quinolin-3-yl)-benzoic acid
CID 10244811
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide
CID 1219675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1220296
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
2-(1,3-Benzodioxol-5-yl)quinoline-4-carboxylic acid
CID 673730
2-(2,4-Diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The IUPAC name of 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (CID 3243558) is 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The canonical SMILES for 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is COC(=O)c1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc1.
What is the InChIKey of 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The InChIKey is RJXCVNCRIWCVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO6/c1-25-20(24)12-4-2-11(3-5-12)15-8-14(19(22)23)13-9-17-18(10-16(13)21-15)27-7-6-26-17/h2-5,8-10H,6-7H2,1H3,(H,22,23).
What are the key properties of 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid has a molecular weight of 365.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxycarbonylphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is sourced from PubChem (CID 3243558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).