N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C27H26N6O5 — CID 136615587

About N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 136615587) has the molecular formula C27H26N6O5 and a molecular weight of 514.54 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 136615587
• Molecular Formula: C27H26N6O5
• Molecular Weight: 514.54 g/mol
• Exact Mass: 514.20
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1cccc(N2CC(C(=O)Nc3cc(-c4ccco4)nn3-c3nc4c(c(=O)[nH]3)CCCC4)CC2=O)c1
• InChI: InChI=1S/C27H26N6O5/c1-37-18-7-4-6-17(13-18)32-15-16(12-24(32)34)25(35)29-23-14-21(22-10-5-11-38-22)31-33(23)27-28-20-9-3-2-8-19(20)26(36)30-27/h4-7,10-11,13-14,16H,2-3,8-9,12,15H2,1H3,(H,29,35)(H,28,30,36)
• InChIKey: YGMLYTBESMFXSP-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 135.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.54
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 136615587) is N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3cc(-c4ccco4)nn3-c3nc4c(c(=O)[nH]3)CCCC4)CC2=O)c1.

What is the InChIKey of N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is YGMLYTBESMFXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O5/c1-37-18-7-4-6-17(13-18)32-15-16(12-24(32)34)25(35)29-23-14-21(22-10-5-11-38-22)31-33(23)27-28-20-9-3-2-8-19(20)26(36)30-27/h4-7,10-11,13-14,16H,2-3,8-9,12,15H2,1H3,(H,29,35)(H,28,30,36).

What are the key properties of N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?

N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 514.54 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136615587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).