N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C28H28N4O3S — CID 3332613

About N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 3332613) has the molecular formula C28H28N4O3S and a molecular weight of 500.62 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
• PubChem CID: 3332613
• Molecular Formula: C28H28N4O3S
• Molecular Weight: 500.62 g/mol
• Exact Mass: 500.19
• IUPAC Name: N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4c(=O)n3C(C)COC)ccc21
• InChI: InChI=1S/C28H28N4O3S/c1-4-31-24-12-8-6-9-20(24)22-15-19(13-14-25(22)31)29-26(33)17-36-28-30-23-11-7-5-10-21(23)27(34)32(28)18(2)16-35-3/h5-15,18H,4,16-17H2,1-3H3,(H,29,33)
• InChIKey: QRGVXLGAGUPXAD-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.62
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?

The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 3332613) is N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?

The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4c(=O)n3C(C)COC)ccc21.

What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?

The InChIKey is QRGVXLGAGUPXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3S/c1-4-31-24-12-8-6-9-20(24)22-15-19(13-14-25(22)31)29-26(33)17-36-28-30-23-11-7-5-10-21(23)27(34)32(28)18(2)16-35-3/h5-15,18H,4,16-17H2,1-3H3,(H,29,33).

What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?

N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 500.62 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3332613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).