N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C24H25N3O3S — CID 30045813

About N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 30045813) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
• PubChem CID: 30045813
• Molecular Formula: C24H25N3O3S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.16
• IUPAC Name: N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
• SMILES: COCCc1ccc(-c2csc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)n2)cc1
• InChI: InChI=1S/C24H25N3O3S/c1-30-13-12-16-6-8-17(9-7-16)21-15-31-24(26-21)27-22(28)11-10-19-14-18-4-2-3-5-20(18)25-23(19)29/h2-9,15,19H,10-14H2,1H3,(H,25,29)(H,26,27,28)/t19-/m1/s1
• InChIKey: PUJWIIHLWYDORN-LJQANCHMSA-N
• XLogP: 4.53
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

The IUPAC name of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 30045813) is N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

What is the SMILES notation for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

The canonical SMILES for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is COCCc1ccc(-c2csc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)n2)cc1.

What is the InChIKey of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

The InChIKey is PUJWIIHLWYDORN-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-30-13-12-16-6-8-17(9-7-16)21-15-31-24(26-21)27-22(28)11-10-19-14-18-4-2-3-5-20(18)25-23(19)29/h2-9,15,19H,10-14H2,1H3,(H,25,29)(H,26,27,28)/t19-/m1/s1.

What are the key properties of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 435.55 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 30045813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).