1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea

C24H20N4O3 — CID 156828159

IUPAC1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea
SMILESO=C(Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C24H20N4O3/c29-23-15-31-22-13-19(8-9-21(22)28(23)14-16-4-2-1-3-5-16)27-24(30)26-18-7-6-17-10-11-25-20(17)12-18/h1-13,25H,14-15H2,(H2,26,27,30)
InChIKeyXVHDZEQJDVYNJD-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.74
Rot. Bonds4

About 1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea

1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea (PubChem CID 156828159) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea.

Molecular Properties

Compound Name1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea
PubChem CID156828159
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea
SMILESO=C(Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C24H20N4O3/c29-23-15-31-22-13-19(8-9-21(22)28(23)14-16-4-2-1-3-5-16)27-24(30)26-18-7-6-17-10-11-25-20(17)12-18/h1-13,25H,14-15H2,(H2,26,27,30)
InChIKeyXVHDZEQJDVYNJD-UHFFFAOYSA-N
XLogP4.74
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[3-(hydroxymethyl)phenyl]methyl]-3-oxo-1,4-benzoxazin-7-yl]-3-(1H-indol-6-yl)urea
CID 156871886
1-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-oxo-1,4-benzoxazin-7-yl]-3-(1H-indol-6-yl)urea
CID 156871901
1-(1H-indol-6-yl)-3-[3-oxo-4-(pyrazin-2-ylmethyl)-1,4-benzoxazin-7-yl]urea
CID 156827981
N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide
CID 6488709
1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(4-phenylcyclohexyl)urea
CID 156827900
N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide
CID 3231761
1-[(4-benzyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]-3-(1H-indol-6-yl)urea
CID 167463909
2-[4-benzyl-6-(1H-indol-6-ylcarbamoylamino)-3-oxo-1,4-benzothiazin-2-yl]acetamide
CID 156828098
1-tert-butyl-3-[4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]urea
CID 170748157
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
CID 6488701
2-[4-[[7-[[2-(3-fluorophenyl)acetyl]amino]-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzoic acid
CID 156781373
2-[4-[[7-[[2-(2-chlorophenyl)acetyl]amino]-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzoic acid
CID 156781366

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea?
The IUPAC name of 1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea (CID 156828159) is 1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea.
What is the SMILES notation for 1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea?
The canonical SMILES for 1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea is O=C(Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea?
The InChIKey is XVHDZEQJDVYNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-23-15-31-22-13-19(8-9-21(22)28(23)14-16-4-2-1-3-5-16)27-24(30)26-18-7-6-17-10-11-25-20(17)12-18/h1-13,25H,14-15H2,(H2,26,27,30).
What are the key properties of 1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea?
1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea has a molecular weight of 412.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea is sourced from PubChem (CID 156828159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).