N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide

C30H27N5O2S — CID 177319993

About N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide

N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 177319993) has the molecular formula C30H27N5O2S and a molecular weight of 521.65 g/mol. Its IUPAC name is N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
• PubChem CID: 177319993
• Molecular Formula: C30H27N5O2S
• Molecular Weight: 521.65 g/mol
• Exact Mass: 521.19
• IUPAC Name: N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
• SMILES: Cc1cc(C)c2nc(-c3cccnc3)cc(C(=O)Nc3ccc(C(=O)NCc4nc(C)sc4C)cc3)c2c1
• InChI: InChI=1S/C30H27N5O2S/c1-17-12-18(2)28-24(13-17)25(14-26(35-28)22-6-5-11-31-15-22)30(37)34-23-9-7-21(8-10-23)29(36)32-16-27-19(3)38-20(4)33-27/h5-15H,16H2,1-4H3,(H,32,36)(H,34,37)
• InChIKey: HYSVZEULXKUKLM-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 96.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.65
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?

The IUPAC name of N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 177319993) is N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide.

What is the SMILES notation for N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?

The canonical SMILES for N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3cccnc3)cc(C(=O)Nc3ccc(C(=O)NCc4nc(C)sc4C)cc3)c2c1.

What is the InChIKey of N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?

The InChIKey is HYSVZEULXKUKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2S/c1-17-12-18(2)28-24(13-17)25(14-26(35-28)22-6-5-11-31-15-22)30(37)34-23-9-7-21(8-10-23)29(36)32-16-27-19(3)38-20(4)33-27/h5-15H,16H2,1-4H3,(H,32,36)(H,34,37).

What are the key properties of N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?

N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 521.65 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 177319993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).