2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide

C32H28N4O2S — CID 23995497

IUPAC2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(C)cc3C)ccc21
InChIInChI=1S/C32H28N4O2S/c1-4-35-28-12-8-6-9-23(28)25-18-22(14-16-29(25)35)33-30(37)19-39-32-34-26-11-7-5-10-24(26)31(38)36(32)27-15-13-20(2)17-21(27)3/h5-18H,4,19H2,1-3H3,(H,33,37)
InChIKeyNZOGWGWKGIMLBK-UHFFFAOYSA-N
MW532.67 g/mol
LogP6.86
Rot. Bonds6

About 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide

2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 23995497) has the molecular formula C32H28N4O2S and a molecular weight of 532.67 g/mol. Its IUPAC name is 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID23995497
Molecular FormulaC32H28N4O2S
Molecular Weight532.67 g/mol
Exact Mass532.19
IUPAC Name2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(C)cc3C)ccc21
InChIInChI=1S/C32H28N4O2S/c1-4-35-28-12-8-6-9-23(28)25-18-22(14-16-29(25)35)33-30(37)19-39-32-34-26-11-7-5-10-24(26)31(38)36(32)27-15-13-20(2)17-21(27)3/h5-18H,4,19H2,1-3H3,(H,33,37)
InChIKeyNZOGWGWKGIMLBK-UHFFFAOYSA-N
XLogP6.86
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.67
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 2583903
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2652379
N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3332613
N-(2-chloro-3-pyridinyl)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4827405
methyl 2-[[2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate
CID 7843946
N-(2,5-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1162800
2-[[2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 16531272
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 2583905
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 8857939
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 52582273
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide
CID 41408572

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide (CID 23995497) is 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(C)cc3C)ccc21.
What is the InChIKey of 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is NZOGWGWKGIMLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O2S/c1-4-35-28-12-8-6-9-23(28)25-18-22(14-16-29(25)35)33-30(37)19-39-32-34-26-11-7-5-10-24(26)31(38)36(32)27-15-13-20(2)17-21(27)3/h5-18H,4,19H2,1-3H3,(H,33,37).
What are the key properties of 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 532.67 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 23995497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).