2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C24H20N4O2S — CID 30436234

IUPAC2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCn1c2ccccc2c2cc(-n3c(SCC(N)=O)nc4ccccc4c3=O)ccc21
InChIInChI=1S/C24H20N4O2S/c1-2-27-20-10-6-4-7-16(20)18-13-15(11-12-21(18)27)28-23(30)17-8-3-5-9-19(17)26-24(28)31-14-22(25)29/h3-13H,2,14H2,1H3,(H2,25,29)
InChIKeyTZQRCYJUTKNDLJ-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.09
Rot. Bonds5

About 2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide

2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 30436234) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID30436234
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCn1c2ccccc2c2cc(-n3c(SCC(N)=O)nc4ccccc4c3=O)ccc21
InChIInChI=1S/C24H20N4O2S/c1-2-27-20-10-6-4-7-16(20)18-13-15(11-12-21(18)27)28-23(30)17-8-3-5-9-19(17)26-24(28)31-14-22(25)29/h3-13H,2,14H2,1H3,(H2,25,29)
InChIKeyTZQRCYJUTKNDLJ-UHFFFAOYSA-N
XLogP4.09
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42977783
2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2680991
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 23995497
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 17401880
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
3-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 16538578
2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2609797
2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 938997

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 30436234) is 2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCn1c2ccccc2c2cc(-n3c(SCC(N)=O)nc4ccccc4c3=O)ccc21.
What is the InChIKey of 2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is TZQRCYJUTKNDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-2-27-20-10-6-4-7-16(20)18-13-15(11-12-21(18)27)28-23(30)17-8-3-5-9-19(17)26-24(28)31-14-22(25)29/h3-13H,2,14H2,1H3,(H2,25,29).
What are the key properties of 2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 428.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 30436234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).