1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide

C29H27ClN6O3 — CID 59484112

About 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide

1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 59484112) has the molecular formula C29H27ClN6O3 and a molecular weight of 543.03 g/mol. Its IUPAC name is 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide
• PubChem CID: 59484112
• Molecular Formula: C29H27ClN6O3
• Molecular Weight: 543.03 g/mol
• Exact Mass: 542.18
• IUPAC Name: 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide
• SMILES: Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(C(=O)N(C)C)c3=O)c2n1
• InChI: InChI=1S/C29H27ClN6O3/c1-18-13-22(25-10-11-32-35(25)4)20-7-5-9-26(27(20)33-18)39-17-23-19(14-31-15-24(23)30)16-36-12-6-8-21(29(36)38)28(37)34(2)3/h5-15H,16-17H2,1-4H3
• InChIKey: ZOTPMJQZKZVRRK-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 95.14 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.03
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide (CID 59484112) is 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide is Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(C(=O)N(C)C)c3=O)c2n1.

What is the InChIKey of 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide?

The InChIKey is ZOTPMJQZKZVRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN6O3/c1-18-13-22(25-10-11-32-35(25)4)20-7-5-9-26(27(20)33-18)39-17-23-19(14-31-15-24(23)30)16-36-12-6-8-21(29(36)38)28(37)34(2)3/h5-15H,16-17H2,1-4H3.

What are the key properties of 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide?

1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 543.03 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59484112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).