[1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid

C28H30N2O4S — CID 67450002

About [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid

[1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 67450002) has the molecular formula C28H30N2O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

• Compound Name: [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid
• PubChem CID: 67450002
• Molecular Formula: C28H30N2O4S
• Molecular Weight: 490.63 g/mol
• Exact Mass: 490.19
• IUPAC Name: [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid
• SMILES: COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(C(NC(=O)O)C(C)(C)C)CC2)cc1
• InChI: InChI=1S/C28H30N2O4S/c1-15-14-19(34-5)20(21-18-10-13-35-23(18)24(31)29-22(15)21)16-6-8-17(9-7-16)28(11-12-28)25(27(2,3)4)30-26(32)33/h6-10,13-14,25,30H,11-12H2,1-5H3,(H,29,31)(H,32,33)
• InChIKey: UGKODGVYPBAZHU-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 91.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.63
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid?

The IUPAC name of [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid (CID 67450002) is [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid.

What is the SMILES notation for [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid?

The canonical SMILES for [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid is COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(C(NC(=O)O)C(C)(C)C)CC2)cc1.

What is the InChIKey of [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid?

The InChIKey is UGKODGVYPBAZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4S/c1-15-14-19(34-5)20(21-18-10-13-35-23(18)24(31)29-22(15)21)16-6-8-17(9-7-16)28(11-12-28)25(27(2,3)4)30-26(32)33/h6-10,13-14,25,30H,11-12H2,1-5H3,(H,29,31)(H,32,33).

What are the key properties of [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid?

[1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 490.63 g/mol, XLogP of 6.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[1-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 67450002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).