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

C21H19N3O2 — CID 23996835

IUPAC1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea
SMILESCCN1C(=O)c2cccc3c(NC(=O)Nc4cccc(C)c4)ccc1c23
InChIInChI=1S/C21H19N3O2/c1-3-24-18-11-10-17(15-8-5-9-16(19(15)18)20(24)25)23-21(26)22-14-7-4-6-13(2)12-14/h4-12H,3H2,1-2H3,(H2,22,23,26)
InChIKeyYMNQBRGWVUMBCM-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.77
Rot. Bonds3

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

1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea (PubChem CID 23996835) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea
PubChem CID23996835
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea
SMILESCCN1C(=O)c2cccc3c(NC(=O)Nc4cccc(C)c4)ccc1c23
InChIInChI=1S/C21H19N3O2/c1-3-24-18-11-10-17(15-8-5-9-16(19(15)18)20(24)25)23-21(26)22-14-7-4-6-13(2)12-14/h4-12H,3H2,1-2H3,(H2,22,23,26)
InChIKeyYMNQBRGWVUMBCM-UHFFFAOYSA-N
XLogP4.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
CID 3998958
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
CID 681581
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 41151522
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
CID 7565002
4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 3290648
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide
CID 41149488
4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4208820
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-oxochromene-3-carboxamide
CID 23794306
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18832077
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
CID 4155639

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea (CID 23996835) is 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea is CCN1C(=O)c2cccc3c(NC(=O)Nc4cccc(C)c4)ccc1c23.
What is the InChIKey of 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea?
The InChIKey is YMNQBRGWVUMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-3-24-18-11-10-17(15-8-5-9-16(19(15)18)20(24)25)23-21(26)22-14-7-4-6-13(2)12-14/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-(3-methylphenyl)urea?
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea has a molecular weight of 345.40 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 23996835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).