1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea

C22H22ClN3O5 — CID 139405875

IUPAC1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)cc1Cl
InChIInChI=1S/C22H22ClN3O5/c1-3-7-25-22(27)26-15-5-4-13(11-14(15)23)31-17-6-8-24-16-12-18(28-2)20-21(19(16)17)30-10-9-29-20/h4-6,8,11-12H,3,7,9-10H2,1-2H3,(H2,25,26,27)
InChIKeyBPMYGEJIQLDTPJ-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.99
Rot. Bonds6

About 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea

1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea (PubChem CID 139405875) has the molecular formula C22H22ClN3O5 and a molecular weight of 443.89 g/mol. Its IUPAC name is 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea
PubChem CID139405875
Molecular FormulaC22H22ClN3O5
Molecular Weight443.89 g/mol
Exact Mass443.12
IUPAC Name1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)cc1Cl
InChIInChI=1S/C22H22ClN3O5/c1-3-7-25-22(27)26-15-5-4-13(11-14(15)23)31-17-6-8-24-16-12-18(28-2)20-21(19(16)17)30-10-9-29-20/h4-6,8,11-12H,3,7,9-10H2,1-2H3,(H2,25,26,27)
InChIKeyBPMYGEJIQLDTPJ-UHFFFAOYSA-N
XLogP4.99
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea with MolForge

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Related Compounds

1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea
CID 22667116
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-[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-[2-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 146438791
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-propylurea
CID 78318725
1-[2-chloro-4-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-3-(3,3-dimethylbutyl)urea
CID 23022693
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-[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-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 90349736
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
4-[3-chloro-4-(ethylcarbamoylamino)phenoxy]-N-(2-cyanoethyl)-7-methoxyquinoline-6-carboxamide
CID 16718953
tert-butyl N-[1-[3-[[10-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]propyl]-4-methylpiperidin-4-yl]carbamate
CID 139405748

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea?
The IUPAC name of 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea (CID 139405875) is 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea.
What is the SMILES notation for 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea?
The canonical SMILES for 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c4c(c23)OCCO4)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea?
The InChIKey is BPMYGEJIQLDTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5/c1-3-7-25-22(27)26-15-5-4-13(11-14(15)23)31-17-6-8-24-16-12-18(28-2)20-21(19(16)17)30-10-9-29-20/h4-6,8,11-12H,3,7,9-10H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea?
1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea has a molecular weight of 443.89 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea is sourced from PubChem (CID 139405875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).