5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C27H34ClN3O2S — CID 171902504

About 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 171902504) has the molecular formula C27H34ClN3O2S and a molecular weight of 500.11 g/mol. Its IUPAC name is 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 171902504
• Molecular Formula: C27H34ClN3O2S
• Molecular Weight: 500.11 g/mol
• Exact Mass: 499.21
• IUPAC Name: 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
• SMILES: C[C@@H](c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1)N1CCCc2ccc(Cl)cc21
• InChI: InChI=1S/C27H34ClN3O2S/c1-17(31-14-4-7-19-8-9-20(28)16-23(19)31)24-12-13-25(34-24)27(33)30-22(15-18-5-2-3-6-18)26(32)29-21-10-11-21/h8-9,12-13,16-18,21-22H,2-7,10-11,14-15H2,1H3,(H,29,32)(H,30,33)/t17-,22-/m0/s1
• InChIKey: DZLTXSTUWIHVJJ-JTSKRJEESA-N
• XLogP: 5.87
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.11
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 171902504) is 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@@H](c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1)N1CCCc2ccc(Cl)cc21.

What is the InChIKey of 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The InChIKey is DZLTXSTUWIHVJJ-JTSKRJEESA-N. The full InChI is InChI=1S/C27H34ClN3O2S/c1-17(31-14-4-7-19-8-9-20(28)16-23(19)31)24-12-13-25(34-24)27(33)30-22(15-18-5-2-3-6-18)26(32)29-21-10-11-21/h8-9,12-13,16-18,21-22H,2-7,10-11,14-15H2,1H3,(H,29,32)(H,30,33)/t17-,22-/m0/s1.

What are the key properties of 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 500.11 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 171902504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).