4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline

C20H18N2O4 — CID 156759245

IUPAC4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline
SMILESNc1ccc(Oc2ccnc3cc(OC4CC4)c4c(c23)OCCO4)cc1
InChIInChI=1S/C20H18N2O4/c21-12-1-3-13(4-2-12)25-16-7-8-22-15-11-17(26-14-5-6-14)19-20(18(15)16)24-10-9-23-19/h1-4,7-8,11,14H,5-6,9-10,21H2
InChIKeyKABPFMLPKKXCQN-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.92
Rot. Bonds4

About 4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline

4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline (PubChem CID 156759245) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline.

Molecular Properties

Compound Name4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline
PubChem CID156759245
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline
SMILESNc1ccc(Oc2ccnc3cc(OC4CC4)c4c(c23)OCCO4)cc1
InChIInChI=1S/C20H18N2O4/c21-12-1-3-13(4-2-12)25-16-7-8-22-15-11-17(26-14-5-6-14)19-20(18(15)16)24-10-9-23-19/h1-4,7-8,11,14H,5-6,9-10,21H2
InChIKeyKABPFMLPKKXCQN-UHFFFAOYSA-N
XLogP3.92
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea
CID 139405828
1-N'-[3-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139408490
1-[2-chloro-4-[[5-(2-hydroxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylpropan-2-one
CID 158498126
1-[2-chloro-4-[[5-(3-hydroxypropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylpropan-2-one
CID 158378049
1-[2-chloro-4-[[5-(2-methylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylpropan-2-one
CID 158558615
1-(4-chloro-3-methylphenyl)-3-[4-[[5-(6-methoxyhexoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]urea
CID 160943592
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[5-(6-methoxyhexoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]urea
CID 155384691
1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea
CID 139405875
1-[2-chloro-4-[[5-(2-hydroxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylpropan-2-one;1-[2-chloro-4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylpropan-2-one
CID 158498125
1-[2-chloro-4-[[5-(3-pyrrol-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea
CID 155384694
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[5-(3-methoxypropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]urea
CID 155395184
4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
CID 156871767

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline?
The IUPAC name of 4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline (CID 156759245) is 4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline.
What is the SMILES notation for 4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline?
The canonical SMILES for 4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline is Nc1ccc(Oc2ccnc3cc(OC4CC4)c4c(c23)OCCO4)cc1.
What is the InChIKey of 4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline?
The InChIKey is KABPFMLPKKXCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c21-12-1-3-13(4-2-12)25-16-7-8-22-15-11-17(26-14-5-6-14)19-20(18(15)16)24-10-9-23-19/h1-4,7-8,11,14H,5-6,9-10,21H2.
What are the key properties of 4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline?
4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline has a molecular weight of 350.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline is sourced from PubChem (CID 156759245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).