N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C23H31N5O4 — CID 26262547

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 26262547) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
• PubChem CID: 26262547
• Molecular Formula: C23H31N5O4
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.24
• IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
• SMILES: CCCCN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1c(N)n(CCC)c(=O)[nH]c1=O
• InChI: InChI=1S/C23H31N5O4/c1-3-5-13-27(19-20(24)28(12-4-2)23(32)26-22(19)31)18(29)11-10-16-14-15-8-6-7-9-17(15)25-21(16)30/h6-9,16H,3-5,10-14,24H2,1-2H3,(H,25,30)(H,26,31,32)/t16-/m0/s1
• InChIKey: GFGVRMZFUKKJSZ-INIZCTEOSA-N
• XLogP: 2.25
• TPSA: 130.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 26262547) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is CCCCN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1c(N)n(CCC)c(=O)[nH]c1=O.

What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

The InChIKey is GFGVRMZFUKKJSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-3-5-13-27(19-20(24)28(12-4-2)23(32)26-22(19)31)18(29)11-10-16-14-15-8-6-7-9-17(15)25-21(16)30/h6-9,16H,3-5,10-14,24H2,1-2H3,(H,25,30)(H,26,31,32)/t16-/m0/s1.

What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 441.53 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 26262547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).