(4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile

C20H26N4OS — CID 1316702

About (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile

(4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 1316702) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

• Compound Name: (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
• PubChem CID: 1316702
• Molecular Formula: C20H26N4OS
• Molecular Weight: 370.52 g/mol
• Exact Mass: 370.18
• IUPAC Name: (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
• SMILES: CCc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)s1
• InChI: InChI=1S/C20H26N4OS/c1-6-12-7-8-16(26-12)17-13(11-21)19(22)24(23(4)5)14-9-20(2,3)10-15(25)18(14)17/h7-8,17H,6,9-10,22H2,1-5H3/t17-/m0/s1
• InChIKey: HPIQJOAJEJCMDA-KRWDZBQOSA-N
• XLogP: 3.52
• TPSA: 73.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.52
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?

The IUPAC name of (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 1316702) is (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.

What is the SMILES notation for (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?

The canonical SMILES for (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is CCc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)s1.

What is the InChIKey of (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?

The InChIKey is HPIQJOAJEJCMDA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-6-12-7-8-16(26-12)17-13(11-21)19(22)24(23(4)5)14-9-20(2,3)10-15(25)18(14)17/h7-8,17H,6,9-10,22H2,1-5H3/t17-/m0/s1.

What are the key properties of (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile?

(4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 370.52 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-amino-1-(dimethylamino)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 1316702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).