3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea

C24H22ClN3O3 — CID 1430408

IUPAC3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)cc2c1
InChIInChI=1S/C24H22ClN3O3/c1-2-16-8-9-22-17(11-16)12-18(23(29)27-22)14-28(15-21-7-4-10-31-21)24(30)26-20-6-3-5-19(25)13-20/h3-13H,2,14-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyQJSGWUWPDQTKGF-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.57
Rot. Bonds6

About 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea

3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea (PubChem CID 1430408) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea
PubChem CID1430408
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)cc2c1
InChIInChI=1S/C24H22ClN3O3/c1-2-16-8-9-22-17(11-16)12-18(23(29)27-22)14-28(15-21-7-4-10-31-21)24(30)26-20-6-3-5-19(25)13-20/h3-13H,2,14-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyQJSGWUWPDQTKGF-UHFFFAOYSA-N
XLogP5.57
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea with MolForge

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Related Compounds

3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea
CID 1462403
3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 649139
3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea
CID 1430695
3-(4-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methylphenyl)methyl]urea
CID 3194694
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(1-phenylethyl)thiourea
CID 3170294
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 1453577
1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1462413
3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195123
3-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)thiourea
CID 3170299
1-(furan-2-ylmethyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
CID 1138001
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194492
3-(3-chlorophenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]urea
CID 1430972

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea (CID 1430408) is 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea is CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)cc2c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea?
The InChIKey is QJSGWUWPDQTKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-2-16-8-9-22-17(11-16)12-18(23(29)27-22)14-28(15-21-7-4-10-31-21)24(30)26-20-6-3-5-19(25)13-20/h3-13H,2,14-15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea?
3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 435.91 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 1430408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).