4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline

C18H15FN2O3 — CID 156759191

IUPAC4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline
SMILESCc1cc(Oc2ccnc3ccc4c(c23)OCCO4)c(F)cc1N
InChIInChI=1S/C18H15FN2O3/c1-10-8-16(11(19)9-12(10)20)24-14-4-5-21-13-2-3-15-18(17(13)14)23-7-6-22-15/h2-5,8-9H,6-7,20H2,1H3
InChIKeyJPGNMQJVUSTHTA-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.83
Rot. Bonds2

About 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline

4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline (PubChem CID 156759191) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline
PubChem CID156759191
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline
SMILESCc1cc(Oc2ccnc3ccc4c(c23)OCCO4)c(F)cc1N
InChIInChI=1S/C18H15FN2O3/c1-10-8-16(11(19)9-12(10)20)24-14-4-5-21-13-2-3-15-18(17(13)14)23-7-6-22-15/h2-5,8-9H,6-7,20H2,1H3
InChIKeyJPGNMQJVUSTHTA-UHFFFAOYSA-N
XLogP3.83
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline with MolForge

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Related Compounds

5-fluoro-4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-2-methylaniline
CID 162425165
2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-amine
CID 69376851
2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile
CID 163627379
5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
CID 114417665
N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 156759340
10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol
CID 155384922
4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline
CID 156759245
5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 114417666
4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417599
methyl 4-(4-amino-2-fluoro-5-methylphenoxy)pyrimidine-2-carboxylate
CID 114417468
4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline
CID 114417661
N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-2-fluorophenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide
CID 163506832

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline?
The IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline (CID 156759191) is 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline?
The canonical SMILES for 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline is Cc1cc(Oc2ccnc3ccc4c(c23)OCCO4)c(F)cc1N.
What is the InChIKey of 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline?
The InChIKey is JPGNMQJVUSTHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-10-8-16(11(19)9-12(10)20)24-14-4-5-21-13-2-3-15-18(17(13)14)23-7-6-22-15/h2-5,8-9H,6-7,20H2,1H3.
What are the key properties of 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline?
4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline has a molecular weight of 326.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluoro-2-methylaniline is sourced from PubChem (CID 156759191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).