1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea

C18H17N3O4 — CID 30376109

IUPAC1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
SMILESCN1C(=O)CCc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C18H17N3O4/c1-21-14-5-3-12(8-11(14)2-7-17(21)22)19-18(23)20-13-4-6-15-16(9-13)25-10-24-15/h3-6,8-9H,2,7,10H2,1H3,(H2,19,20,23)
InChIKeyCKUKOAPIMQTYEC-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.97
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea

1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea (PubChem CID 30376109) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
PubChem CID30376109
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
SMILESCN1C(=O)CCc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C18H17N3O4/c1-21-14-5-3-12(8-11(14)2-7-17(21)22)19-18(23)20-13-4-6-15-16(9-13)25-10-24-15/h3-6,8-9H,2,7,10H2,1H3,(H2,19,20,23)
InChIKeyCKUKOAPIMQTYEC-UHFFFAOYSA-N
XLogP2.97
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea with MolForge

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Related Compounds

1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-thiophen-2-ylurea
CID 30376060
1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea
CID 164948255
1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376078
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
CID 110774643
2-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 40805138
3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 115180262
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea (CID 30376109) is 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea is CN1C(=O)CCc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The InChIKey is CKUKOAPIMQTYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-21-14-5-3-12(8-11(14)2-7-17(21)22)19-18(23)20-13-4-6-15-16(9-13)25-10-24-15/h3-6,8-9H,2,7,10H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea has a molecular weight of 339.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea is sourced from PubChem (CID 30376109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).