8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid

C20H17NO5 — CID 18073731

IUPAC8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCCO4)cc1
InChIInChI=1S/C20H17NO5/c1-24-13-5-3-12(4-6-13)16-9-15(20(22)23)14-10-18-19(11-17(14)21-16)26-8-2-7-25-18/h3-6,9-11H,2,7-8H2,1H3,(H,22,23)
InChIKeyWTUXQWLPFYSYHC-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.77
Rot. Bonds3

About 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid

8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid (PubChem CID 18073731) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
PubChem CID18073731
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCCO4)cc1
InChIInChI=1S/C20H17NO5/c1-24-13-5-3-12(4-6-13)16-9-15(20(22)23)14-10-18-19(11-17(14)21-16)26-8-2-7-25-18/h3-6,9-11H,2,7-8H2,1H3,(H,22,23)
InChIKeyWTUXQWLPFYSYHC-UHFFFAOYSA-N
XLogP3.77
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid with MolForge

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Related Compounds

8-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073739
7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073475
8-thiophen-3-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073747
7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073489
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073477
7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442508
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
7-(4-tert-butylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442478
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526
7-pyridin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 17486419
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid?
The IUPAC name of 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid (CID 18073731) is 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid.
What is the SMILES notation for 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid?
The canonical SMILES for 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCCO4)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid?
The InChIKey is WTUXQWLPFYSYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-24-13-5-3-12(4-6-13)16-9-15(20(22)23)14-10-18-19(11-17(14)21-16)26-8-2-7-25-18/h3-6,9-11H,2,7-8H2,1H3,(H,22,23).
What are the key properties of 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid?
8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid has a molecular weight of 351.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid is sourced from PubChem (CID 18073731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).