N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C24H27N3O2 — CID 45355620

About N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 45355620) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
• PubChem CID: 45355620
• Molecular Formula: C24H27N3O2
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.21
• IUPAC Name: N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
• SMILES: CCc1ccc(C(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C(C)C)cc1
• InChI: InChI=1S/C24H27N3O2/c1-4-16-7-9-17(10-8-16)22(15(2)3)26-23(28)18-11-12-19-20(14-18)25-21-6-5-13-27(21)24(19)29/h7-12,14-15,22H,4-6,13H2,1-3H3,(H,26,28)
• InChIKey: NOHKYEGKYXQKES-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?

The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 45355620) is N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?

The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is CCc1ccc(C(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C(C)C)cc1.

What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?

The InChIKey is NOHKYEGKYXQKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-16-7-9-17(10-8-16)22(15(2)3)26-23(28)18-11-12-19-20(14-18)25-21-6-5-13-27(21)24(19)29/h7-12,14-15,22H,4-6,13H2,1-3H3,(H,26,28).

What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?

N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 45355620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).