2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide

C29H29N5O3S — CID 135232535

About 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide

2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide (PubChem CID 135232535) has the molecular formula C29H29N5O3S and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
• PubChem CID: 135232535
• Molecular Formula: C29H29N5O3S
• Molecular Weight: 527.65 g/mol
• Exact Mass: 527.20
• IUPAC Name: 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
• SMILES: Cc1nc(C2CCCCC2)oc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3Cc2cccnc2)cs1
• InChI: InChI=1S/C29H29N5O3S/c1-18-26(37-28(31-18)20-7-3-2-4-8-20)27(36)33-29-32-23(17-38-29)21-9-11-24-22(14-21)10-12-25(35)34(24)16-19-6-5-13-30-15-19/h5-6,9,11,13-15,17,20H,2-4,7-8,10,12,16H2,1H3,(H,32,33,36)
• InChIKey: SUZLPFMGSOUUKS-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.65
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?

The IUPAC name of 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide (CID 135232535) is 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?

The canonical SMILES for 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide is Cc1nc(C2CCCCC2)oc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3Cc2cccnc2)cs1.

What is the InChIKey of 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?

The InChIKey is SUZLPFMGSOUUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3S/c1-18-26(37-28(31-18)20-7-3-2-4-8-20)27(36)33-29-32-23(17-38-29)21-9-11-24-22(14-21)10-12-25(35)34(24)16-19-6-5-13-30-15-19/h5-6,9,11,13-15,17,20H,2-4,7-8,10,12,16H2,1H3,(H,32,33,36).

What are the key properties of 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?

2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 527.65 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 135232535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).