1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea

C20H19ClN4O2 — CID 16747560

IUPAC1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cccc(Cn2nc(-c3cccc(Cl)c3)ccc2=O)c1
InChIInChI=1S/C20H19ClN4O2/c1-2-22-20(27)23-17-8-3-5-14(11-17)13-25-19(26)10-9-18(24-25)15-6-4-7-16(21)12-15/h3-12H,2,13H2,1H3,(H2,22,23,27)
InChIKeyXXPSHFNKALADRV-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.75
Rot. Bonds5

About 1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea

1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea (PubChem CID 16747560) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea
PubChem CID16747560
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cccc(Cn2nc(-c3cccc(Cl)c3)ccc2=O)c1
InChIInChI=1S/C20H19ClN4O2/c1-2-22-20(27)23-17-8-3-5-14(11-17)13-25-19(26)10-9-18(24-25)15-6-4-7-16(21)12-15/h3-12H,2,13H2,1H3,(H2,22,23,27)
InChIKeyXXPSHFNKALADRV-UHFFFAOYSA-N
XLogP3.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)propyl N-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16747499
1-ethyl-3-[3-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
CID 59849671
1-[3-[[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-[3-(dimethylamino)propyl]urea
CID 59849767
ethyl N-[3-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16747373
ethyl N-[3-[[3-[3-[2-(4-hydroxybutylamino)-2-oxoethyl]phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59406656
1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
CID 16747501
ethyl N-[3-[[3-[4-(hydroxymethyl)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 25121651
tert-butyl N-[2-[3-[1-[[3-(ethoxycarbonylamino)phenyl]methyl]-6-oxopyridazin-3-yl]anilino]-2-oxoethyl]carbamate
CID 59406738
ethyl N-[3-[[3-[3-(4-aminobutanoylamino)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59406681
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
ethyl N-[3-[[6-oxo-3-(3,4,5-trifluorophenyl)pyridazin-1-yl]methyl]phenyl]carbamate
CID 59406821
N-[3-[[3-[4-[(2-acetamidoethylamino)methyl]phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]butanamide
CID 71046605

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea?
The IUPAC name of 1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea (CID 16747560) is 1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea.
What is the SMILES notation for 1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea?
The canonical SMILES for 1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea is CCNC(=O)Nc1cccc(Cn2nc(-c3cccc(Cl)c3)ccc2=O)c1.
What is the InChIKey of 1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea?
The InChIKey is XXPSHFNKALADRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-2-22-20(27)23-17-8-3-5-14(11-17)13-25-19(26)10-9-18(24-25)15-6-4-7-16(21)12-15/h3-12H,2,13H2,1H3,(H2,22,23,27).
What are the key properties of 1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea?
1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea has a molecular weight of 382.85 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea is sourced from PubChem (CID 16747560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).