N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide

C24H24FN5O4 — CID 46667311

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide (PubChem CID 46667311) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide
• PubChem CID: 46667311
• Molecular Formula: C24H24FN5O4
• Molecular Weight: 465.49 g/mol
• Exact Mass: 465.18
• IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide
• SMILES: CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cc3ccc(F)cc3nc2C)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H24FN5O4/c1-3-4-9-29-21(26)20(22(31)28-24(29)33)30(13-17-6-5-10-34-17)23(32)18-11-15-7-8-16(25)12-19(15)27-14(18)2/h5-8,10-12H,3-4,9,13,26H2,1-2H3,(H,28,31,33)
• InChIKey: LKHFQHXZTRTXEO-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 127.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.49
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide?

The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide (CID 46667311) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide.

What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide?

The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide is CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cc3ccc(F)cc3nc2C)c(=O)[nH]c1=O.

What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide?

The InChIKey is LKHFQHXZTRTXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-3-4-9-29-21(26)20(22(31)28-24(29)33)30(13-17-6-5-10-34-17)23(32)18-11-15-7-8-16(25)12-19(15)27-14(18)2/h5-8,10-12H,3-4,9,13,26H2,1-2H3,(H,28,31,33).

What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide?

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46667311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).