3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one

C26H22N2O3 — CID 142712093

IUPAC3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one
SMILESCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C3=NOC(=O)CC3)ccc21
InChIInChI=1S/C26H22N2O3/c1-3-28-23-11-8-17(22-10-13-25(29)31-27-22)14-20(23)21-15-18(9-12-24(21)28)26(30)19-7-5-4-6-16(19)2/h4-9,11-12,14-15H,3,10,13H2,1-2H3
InChIKeyQSOHSMBHQPJLKP-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.39
Rot. Bonds4

About 3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one

3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one (PubChem CID 142712093) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one.

Molecular Properties

Compound Name3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one
PubChem CID142712093
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one
SMILESCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C3=NOC(=O)CC3)ccc21
InChIInChI=1S/C26H22N2O3/c1-3-28-23-11-8-17(22-10-13-25(29)31-27-22)14-20(23)21-15-18(9-12-24(21)28)26(30)19-7-5-4-6-16(19)2/h4-9,11-12,14-15H,3,10,13H2,1-2H3
InChIKeyQSOHSMBHQPJLKP-UHFFFAOYSA-N
XLogP5.39
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
[9-ethyl-6-(thiolan-1-ium-1-ylmethyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 59664422
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 4-azabicyclo[5.1.0]octane-4-carboxylate
CID 172917665
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pent-4-en-1-one
CID 167229658
1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one
CID 154285254
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one
CID 138599036
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]thiophen-1-ium-2-carbaldehyde
CID 172752003
(6-ethyl-3-hydroxyfuro[3,2-c]carbazol-9-yl)-(2-methylphenyl)methanone
CID 123567975

Frequently Asked Questions

What is the IUPAC name of 3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one?
The IUPAC name of 3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one (CID 142712093) is 3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one.
What is the SMILES notation for 3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one?
The canonical SMILES for 3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one is CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C3=NOC(=O)CC3)ccc21.
What is the InChIKey of 3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one?
The InChIKey is QSOHSMBHQPJLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-3-28-23-11-8-17(22-10-13-25(29)31-27-22)14-20(23)21-15-18(9-12-24(21)28)26(30)19-7-5-4-6-16(19)2/h4-9,11-12,14-15H,3,10,13H2,1-2H3.
What are the key properties of 3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one?
3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one has a molecular weight of 410.47 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4,5-dihydrooxazin-6-one is sourced from PubChem (CID 142712093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).