N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide

C34H44N4O4 — CID 146587992

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide (PubChem CID 146587992) has the molecular formula C34H44N4O4 and a molecular weight of 572.75 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide
• PubChem CID: 146587992
• Molecular Formula: C34H44N4O4
• Molecular Weight: 572.75 g/mol
• Exact Mass: 572.34
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide
• SMILES: CCN1c2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(CN4CCOCC4)cc3)c2C(C)(C)CC1O
• InChI: InChI=1S/C34H44N4O4/c1-7-38-29(39)18-34(5,6)30-27(25-10-8-24(9-11-25)20-37-12-14-42-15-13-37)17-26(23(4)31(30)38)32(40)35-19-28-21(2)16-22(3)36-33(28)41/h8-11,16-17,29,39H,7,12-15,18-20H2,1-6H3,(H,35,40)(H,36,41)
• InChIKey: CONYPFYQSMYWEK-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 97.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.75
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide (CID 146587992) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide is CCN1c2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(CN4CCOCC4)cc3)c2C(C)(C)CC1O.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide?

The InChIKey is CONYPFYQSMYWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O4/c1-7-38-29(39)18-34(5,6)30-27(25-10-8-24(9-11-25)20-37-12-14-42-15-13-37)17-26(23(4)31(30)38)32(40)35-19-28-21(2)16-22(3)36-33(28)41/h8-11,16-17,29,39H,7,12-15,18-20H2,1-6H3,(H,35,40)(H,36,41).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide has a molecular weight of 572.75 g/mol, XLogP of 4.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide is sourced from PubChem (CID 146587992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).