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

C25H25N5O4 — CID 136615500

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

N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-4-propan-2-yloxybenzamide (PubChem CID 136615500) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 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]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-4-propan-2-yloxybenzamide
• PubChem CID: 136615500
• Molecular Formula: C25H25N5O4
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.19
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1
• InChI: InChI=1S/C25H25N5O4/c1-15(2)34-17-11-9-16(10-12-17)23(31)27-22-14-20(21-8-5-13-33-21)29-30(22)25-26-19-7-4-3-6-18(19)24(32)28-25/h5,8-15H,3-4,6-7H2,1-2H3,(H,27,31)(H,26,28,32)
• InChIKey: LHFWHEPUPBWVDT-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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]-4-propan-2-yloxybenzamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-4-propan-2-yloxybenzamide (CID 136615500) is N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-4-propan-2-yloxybenzamide.

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]-4-propan-2-yloxybenzamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1.

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]-4-propan-2-yloxybenzamide?

The InChIKey is LHFWHEPUPBWVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-15(2)34-17-11-9-16(10-12-17)23(31)27-22-14-20(21-8-5-13-33-21)29-30(22)25-26-19-7-4-3-6-18(19)24(32)28-25/h5,8-15H,3-4,6-7H2,1-2H3,(H,27,31)(H,26,28,32).

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]-4-propan-2-yloxybenzamide?

N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-4-propan-2-yloxybenzamide has a molecular weight of 459.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 136615500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).