(4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C26H29N3O3S — CID 51524430

About (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51524430) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 51524430
• Molecular Formula: C26H29N3O3S
• Molecular Weight: 463.60 g/mol
• Exact Mass: 463.19
• IUPAC Name: (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(CN3CCOCC3)cs2)C2=C(CCCC2=O)N1
• InChI: InChI=1S/C26H29N3O3S/c1-17-23(26(31)28-19-6-3-2-4-7-19)25(24-20(27-17)8-5-9-21(24)30)22-14-18(16-33-22)15-29-10-12-32-13-11-29/h2-4,6-7,14,16,25,27H,5,8-13,15H2,1H3,(H,28,31)/t25-/m1/s1
• InChIKey: JFTIRKPMJGICAH-RUZDIDTESA-N
• XLogP: 4.19
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.60
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51524430) is (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(CN3CCOCC3)cs2)C2=C(CCCC2=O)N1.

What is the InChIKey of (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is JFTIRKPMJGICAH-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-17-23(26(31)28-19-6-3-2-4-7-19)25(24-20(27-17)8-5-9-21(24)30)22-14-18(16-33-22)15-29-10-12-32-13-11-29/h2-4,6-7,14,16,25,27H,5,8-13,15H2,1H3,(H,28,31)/t25-/m1/s1.

What are the key properties of (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

(4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51524430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).