1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea

C21H19N3O3 — CID 1068830

IUPAC1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea
SMILESCCN1C(=O)c2cccc3c(NC(=O)Nc4ccc(OC)cc4)ccc1c23
InChIInChI=1S/C21H19N3O3/c1-3-24-18-12-11-17(15-5-4-6-16(19(15)18)20(24)25)23-21(26)22-13-7-9-14(27-2)10-8-13/h4-12H,3H2,1-2H3,(H2,22,23,26)
InChIKeyPRMATKNSLZABBT-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.47
Rot. Bonds4

About 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea

1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea (PubChem CID 1068830) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea
PubChem CID1068830
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea
SMILESCCN1C(=O)c2cccc3c(NC(=O)Nc4ccc(OC)cc4)ccc1c23
InChIInChI=1S/C21H19N3O3/c1-3-24-18-12-11-17(15-5-4-6-16(19(15)18)20(24)25)23-21(26)22-13-7-9-14(27-2)10-8-13/h4-12H,3H2,1-2H3,(H2,22,23,26)
InChIKeyPRMATKNSLZABBT-UHFFFAOYSA-N
XLogP4.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-6-(4-methoxyanilino)sulfanylbenzo[cd]indol-2-one
CID 144874581
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide
CID 3990187
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
CID 4155639
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
CID 3998958
4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 3290648
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
CID 681581
1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654880
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
CID 7565002
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323898
4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4208820
N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 1244587

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea (CID 1068830) is 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea is CCN1C(=O)c2cccc3c(NC(=O)Nc4ccc(OC)cc4)ccc1c23.
What is the InChIKey of 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is PRMATKNSLZABBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-3-24-18-12-11-17(15-5-4-6-16(19(15)18)20(24)25)23-21(26)22-13-7-9-14(27-2)10-8-13/h4-12H,3H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea?
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 361.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 1068830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).