1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

C26H27N5O2S — CID 16598588

About 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 16598588) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
• PubChem CID: 16598588
• Molecular Formula: C26H27N5O2S
• Molecular Weight: 473.60 g/mol
• Exact Mass: 473.19
• IUPAC Name: 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
• SMILES: CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1
• InChI: InChI=1S/C26H27N5O2S/c1-16(2)28-25(33)19-8-5-11-23-18(19)9-6-12-31(23)14-24(32)30-26-29-22(15-34-26)20-13-27-21-10-4-3-7-17(20)21/h3-5,7-8,10-11,13,15-16,27H,6,9,12,14H2,1-2H3,(H,28,33)(H,29,30,32)
• InChIKey: XUJPSGLDRFQUOP-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?

The IUPAC name of 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 16598588) is 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

What is the SMILES notation for 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?

The canonical SMILES for 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1.

What is the InChIKey of 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?

The InChIKey is XUJPSGLDRFQUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-16(2)28-25(33)19-8-5-11-23-18(19)9-6-12-31(23)14-24(32)30-26-29-22(15-34-26)20-13-27-21-10-4-3-7-17(20)21/h3-5,7-8,10-11,13,15-16,27H,6,9,12,14H2,1-2H3,(H,28,33)(H,29,30,32).

What are the key properties of 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?

1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 16598588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).