2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide

C30H26ClN5O3 — CID 177319702

About 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide

2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide (PubChem CID 177319702) has the molecular formula C30H26ClN5O3 and a molecular weight of 540.02 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide
• PubChem CID: 177319702
• Molecular Formula: C30H26ClN5O3
• Molecular Weight: 540.02 g/mol
• Exact Mass: 539.17
• IUPAC Name: 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide
• SMILES: Cc1cc(C)c2nc(-c3ccccc3Cl)cc(C(=O)Nc3ccc(C(=O)NCCc4cnc(C)o4)cn3)c2c1
• InChI: InChI=1S/C30H26ClN5O3/c1-17-12-18(2)28-23(13-17)24(14-26(35-28)22-6-4-5-7-25(22)31)30(38)36-27-9-8-20(15-34-27)29(37)32-11-10-21-16-33-19(3)39-21/h4-9,12-16H,10-11H2,1-3H3,(H,32,37)(H,34,36,38)
• InChIKey: TUPZYONQTIPNEW-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 110.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.02
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide?

The IUPAC name of 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide (CID 177319702) is 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide.

What is the SMILES notation for 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide?

The canonical SMILES for 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccccc3Cl)cc(C(=O)Nc3ccc(C(=O)NCCc4cnc(C)o4)cn3)c2c1.

What is the InChIKey of 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide?

The InChIKey is TUPZYONQTIPNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O3/c1-17-12-18(2)28-23(13-17)24(14-26(35-28)22-6-4-5-7-25(22)31)30(38)36-27-9-8-20(15-34-27)29(37)32-11-10-21-16-33-19(3)39-21/h4-9,12-16H,10-11H2,1-3H3,(H,32,37)(H,34,36,38).

What are the key properties of 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide?

2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide has a molecular weight of 540.02 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide is sourced from PubChem (CID 177319702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).