(6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C53H61N7O2S3 — CID 143292533

About (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

(6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 143292533) has the molecular formula C53H61N7O2S3 and a molecular weight of 924.32 g/mol. Its IUPAC name is (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
• PubChem CID: 143292533
• Molecular Formula: C53H61N7O2S3
• Molecular Weight: 924.32 g/mol
• Exact Mass: 923.40
• IUPAC Name: (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
• SMILES: CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)N[C@H](CN)c4cccc(N(Cc5ccccc5)CC(C)(C)[C@@H]5CCc6nc7sc(C(=O)N[C@H](CN)c8ccsc8)cc7cc6C5)c4)cc3cc2C1
• InChI: InChI=1S/C53H61N7O2S3/c1-52(2,3)39-14-16-42-35(22-39)20-37-25-46(64-50(37)58-42)48(61)56-44(27-54)33-12-9-13-41(24-33)60(29-32-10-7-6-8-11-32)31-53(4,5)40-15-17-43-36(23-40)21-38-26-47(65-51(38)59-43)49(62)57-45(28-55)34-18-19-63-30-34/h6-13,18-21,24-26,30,39-40,44-45H,14-17,22-23,27-29,31,54-55H2,1-5H3,(H,56,61)(H,57,62)/t39-,40-,44-,45-/m1/s1
• InChIKey: SPRVORMMDLNAGW-QPJHJTIGSA-N
• XLogP: 10.82
• TPSA: 139.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.32
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

The IUPAC name of (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 143292533) is (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

What is the SMILES notation for (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

The canonical SMILES for (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)N[C@H](CN)c4cccc(N(Cc5ccccc5)CC(C)(C)[C@@H]5CCc6nc7sc(C(=O)N[C@H](CN)c8ccsc8)cc7cc6C5)c4)cc3cc2C1.

What is the InChIKey of (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

The InChIKey is SPRVORMMDLNAGW-QPJHJTIGSA-N. The full InChI is InChI=1S/C53H61N7O2S3/c1-52(2,3)39-14-16-42-35(22-39)20-37-25-46(64-50(37)58-42)48(61)56-44(27-54)33-12-9-13-41(24-33)60(29-32-10-7-6-8-11-32)31-53(4,5)40-15-17-43-36(23-40)21-38-26-47(65-51(38)59-43)49(62)57-45(28-55)34-18-19-63-30-34/h6-13,18-21,24-26,30,39-40,44-45H,14-17,22-23,27-29,31,54-55H2,1-5H3,(H,56,61)(H,57,62)/t39-,40-,44-,45-/m1/s1.

What are the key properties of (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

(6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 924.32 g/mol, XLogP of 10.82, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[(1S)-2-amino-1-[3-[[2-[(6R)-2-[[(1S)-2-amino-1-thiophen-3-ylethyl]carbamoyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-6-yl]-2-methylpropyl]-benzylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 143292533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).