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

C20H23N5O3 — CID 136615468

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

N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]pentanamide (PubChem CID 136615468) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 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]pentanamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]pentanamide
• PubChem CID: 136615468
• Molecular Formula: C20H23N5O3
• Molecular Weight: 381.44 g/mol
• Exact Mass: 381.18
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]pentanamide
• SMILES: CCCCC(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2
• InChI: InChI=1S/C20H23N5O3/c1-2-3-10-18(26)22-17-12-15(16-9-6-11-28-16)24-25(17)20-21-14-8-5-4-7-13(14)19(27)23-20/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,22,26)(H,21,23,27)
• InChIKey: ITRVVYXAMHNZPQ-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.44
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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]pentanamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]pentanamide (CID 136615468) is N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]pentanamide.

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]pentanamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]pentanamide is CCCCC(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2.

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]pentanamide?

The InChIKey is ITRVVYXAMHNZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-3-10-18(26)22-17-12-15(16-9-6-11-28-16)24-25(17)20-21-14-8-5-4-7-13(14)19(27)23-20/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,22,26)(H,21,23,27).

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]pentanamide?

N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]pentanamide has a molecular weight of 381.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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]pentanamide is sourced from PubChem (CID 136615468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).