N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

C30H34FN5O3 — CID 42438144

About N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 42438144) has the molecular formula C30H34FN5O3 and a molecular weight of 531.63 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
• PubChem CID: 42438144
• Molecular Formula: C30H34FN5O3
• Molecular Weight: 531.63 g/mol
• Exact Mass: 531.26
• IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
• SMILES: COc1ccc2cc(CN(CCc3ccc(F)cc3)C(=O)CCn3ccc(C)n3)c(N3CCOCC3)nc2c1
• InChI: InChI=1S/C30H34FN5O3/c1-22-9-13-36(33-22)14-11-29(37)35(12-10-23-3-6-26(31)7-4-23)21-25-19-24-5-8-27(38-2)20-28(24)32-30(25)34-15-17-39-18-16-34/h3-9,13,19-20H,10-12,14-18,21H2,1-2H3
• InChIKey: QVZDPZIRVYIYGN-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 72.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.63
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?

The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 42438144) is N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.

What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?

The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is COc1ccc2cc(CN(CCc3ccc(F)cc3)C(=O)CCn3ccc(C)n3)c(N3CCOCC3)nc2c1.

What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?

The InChIKey is QVZDPZIRVYIYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O3/c1-22-9-13-36(33-22)14-11-29(37)35(12-10-23-3-6-26(31)7-4-23)21-25-19-24-5-8-27(38-2)20-28(24)32-30(25)34-15-17-39-18-16-34/h3-9,13,19-20H,10-12,14-18,21H2,1-2H3.

What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?

N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 531.63 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 42438144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).