1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea

C18H16N2O6 — CID 54723744

IUPAC1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2c(O)c3ccccc3oc2=O)c1
InChIInChI=1S/C18H16N2O6/c1-24-10-7-8-14(25-2)12(9-10)19-18(23)20-15-16(21)11-5-3-4-6-13(11)26-17(15)22/h3-9,21H,1-2H3,(H2,19,20,23)
InChIKeyPJUANBCJAXMAFS-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.16
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea

1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea (PubChem CID 54723744) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
PubChem CID54723744
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2c(O)c3ccccc3oc2=O)c1
InChIInChI=1S/C18H16N2O6/c1-24-10-7-8-14(25-2)12(9-10)19-18(23)20-15-16(21)11-5-3-4-6-13(11)26-17(15)22/h3-9,21H,1-2H3,(H2,19,20,23)
InChIKeyPJUANBCJAXMAFS-UHFFFAOYSA-N
XLogP3.16
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 22433735
2-bromo-N-(4-hydroxy-2-oxochromen-3-yl)-5-methoxybenzamide
CID 54685390
3-bromo-N-(4-hydroxy-2-oxochromen-3-yl)-4-methoxybenzamide
CID 54723746
1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 50762086
1-(4-methoxyphenyl)-3-[4-(methylamino)-2-oxochromen-3-yl]urea
CID 6471218
1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 22433730
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,5-dimethoxyphenyl)urea
CID 20901323
1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114266
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea
CID 35396859
3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818067
3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818010
1-[4-(methylamino)-2-oxochromen-3-yl]-3-(2-methylphenyl)urea
CID 39735085

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea (CID 54723744) is 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea is COc1ccc(OC)c(NC(=O)Nc2c(O)c3ccccc3oc2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea?
The InChIKey is PJUANBCJAXMAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-24-10-7-8-14(25-2)12(9-10)19-18(23)20-15-16(21)11-5-3-4-6-13(11)26-17(15)22/h3-9,21H,1-2H3,(H2,19,20,23).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea?
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea has a molecular weight of 356.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea is sourced from PubChem (CID 54723744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).