1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride

C27H30ClN3O2S — CID 142711415

About 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride

1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride (PubChem CID 142711415) has the molecular formula C27H30ClN3O2S and a molecular weight of 496.08 g/mol. Its IUPAC name is 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride
• PubChem CID: 142711415
• Molecular Formula: C27H30ClN3O2S
• Molecular Weight: 496.08 g/mol
• Exact Mass: 495.17
• IUPAC Name: 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride
• SMILES: Cl.O=C1CSCC2=C1c1cc(C(=O)NCCCN3CC=C(c4ccccc4)CC3)ccc1NC2
• InChI: InChI=1S/C27H29N3O2S.ClH/c31-25-18-33-17-22-16-29-24-8-7-21(15-23(24)26(22)25)27(32)28-11-4-12-30-13-9-20(10-14-30)19-5-2-1-3-6-19;/h1-3,5-9,15,29H,4,10-14,16-18H2,(H,28,32);1H
• InChIKey: ICDLKBSQDJFICI-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.08
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride?

The IUPAC name of 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride (CID 142711415) is 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride.

What is the SMILES notation for 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride?

The canonical SMILES for 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride is Cl.O=C1CSCC2=C1c1cc(C(=O)NCCCN3CC=C(c4ccccc4)CC3)ccc1NC2.

What is the InChIKey of 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride?

The InChIKey is ICDLKBSQDJFICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S.ClH/c31-25-18-33-17-22-16-29-24-8-7-21(15-23(24)26(22)25)27(32)28-11-4-12-30-13-9-20(10-14-30)19-5-2-1-3-6-19;/h1-3,5-9,15,29H,4,10-14,16-18H2,(H,28,32);1H.

What are the key properties of 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride?

1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride has a molecular weight of 496.08 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride is sourced from PubChem (CID 142711415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).