N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

C20H20N6O3 — CID 126444591

About N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 126444591) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
• PubChem CID: 126444591
• Molecular Formula: C20H20N6O3
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.16
• IUPAC Name: N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1nc(N)n[nH]1
• InChI: InChI=1S/C20H20N6O3/c1-11(17-23-20(21)25-24-17)22-18(28)14-10-13-15(8-5-9-16(13)27)26(19(14)29)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,22,28)(H3,21,23,24,25)/t11-/m1/s1
• InChIKey: HDXUOXVBNJFUJF-LLVKDONJSA-N
• XLogP: 1.55
• TPSA: 135.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?

The IUPAC name of N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide (CID 126444591) is N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide.

What is the SMILES notation for N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?

The canonical SMILES for N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide is C[C@@H](NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1nc(N)n[nH]1.

What is the InChIKey of N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?

The InChIKey is HDXUOXVBNJFUJF-LLVKDONJSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-11(17-23-20(21)25-24-17)22-18(28)14-10-13-15(8-5-9-16(13)27)26(19(14)29)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,22,28)(H3,21,23,24,25)/t11-/m1/s1.

What are the key properties of N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?

N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 126444591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).