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

C25H24ClN3O6 — CID 139405828

IUPAC1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(Oc2ccnc3cc(OC4CCOC4)c4c(c23)OCCO4)cc1Cl)NC1CC1
InChIInChI=1S/C25H24ClN3O6/c26-17-11-15(3-4-18(17)29-25(30)28-14-1-2-14)34-20-5-7-27-19-12-21(35-16-6-8-31-13-16)23-24(22(19)20)33-10-9-32-23/h3-5,7,11-12,14,16H,1-2,6,8-10,13H2,(H2,28,29,30)
InChIKeyUYUXGJYKJWITHL-UHFFFAOYSA-N
MW497.94 g/mol
LogP4.90
Rot. Bonds6

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

1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea (PubChem CID 139405828) has the molecular formula C25H24ClN3O6 and a molecular weight of 497.94 g/mol. Its IUPAC name is 1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea
PubChem CID139405828
Molecular FormulaC25H24ClN3O6
Molecular Weight497.94 g/mol
Exact Mass497.14
IUPAC Name1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(Oc2ccnc3cc(OC4CCOC4)c4c(c23)OCCO4)cc1Cl)NC1CC1
InChIInChI=1S/C25H24ClN3O6/c26-17-11-15(3-4-18(17)29-25(30)28-14-1-2-14)34-20-5-7-27-19-12-21(35-16-6-8-31-13-16)23-24(22(19)20)33-10-9-32-23/h3-5,7,11-12,14,16H,1-2,6,8-10,13H2,(H2,28,29,30)
InChIKeyUYUXGJYKJWITHL-UHFFFAOYSA-N
XLogP4.90
TPSA100.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.94
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
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
1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea
CID 139405875
4-[(5-cyclopropyloxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]aniline
CID 156759245
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-5-carboxamide
CID 67418690
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
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 10049743
2-[4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinolin-6-yl]acetamide
CID 140941284
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 58931191
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
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-pyridin-4-ylquinoline-6-carboxamide
CID 22936873
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea?
The IUPAC name of 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) is 1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea is O=C(Nc1ccc(Oc2ccnc3cc(OC4CCOC4)c4c(c23)OCCO4)cc1Cl)NC1CC1.
What is the InChIKey of 1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea?
The InChIKey is UYUXGJYKJWITHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O6/c26-17-11-15(3-4-18(17)29-25(30)28-14-1-2-14)34-20-5-7-27-19-12-21(35-16-6-8-31-13-16)23-24(22(19)20)33-10-9-32-23/h3-5,7,11-12,14,16H,1-2,6,8-10,13H2,(H2,28,29,30).
What are the key properties of 1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea?
1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea has a molecular weight of 497.94 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[[5-(oxolan-3-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylurea is sourced from PubChem (CID 139405828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).