N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide

C35H31N3O3 — CID 5197721

About N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide (PubChem CID 5197721) has the molecular formula C35H31N3O3 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
• PubChem CID: 5197721
• Molecular Formula: C35H31N3O3
• Molecular Weight: 541.65 g/mol
• Exact Mass: 541.24
• IUPAC Name: N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
• SMILES: CCc1ccc(-n2c(C(CC)N(Cc3ccco3)C(=O)c3ccc4ccccc4c3)nc3ccccc3c2=O)cc1
• InChI: InChI=1S/C35H31N3O3/c1-3-24-15-19-28(20-16-24)38-33(36-31-14-8-7-13-30(31)35(38)40)32(4-2)37(23-29-12-9-21-41-29)34(39)27-18-17-25-10-5-6-11-26(25)22-27/h5-22,32H,3-4,23H2,1-2H3
• InChIKey: KSEJHNODSNZBRD-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 68.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.65
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?

The IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide (CID 5197721) is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide.

What is the SMILES notation for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?

The canonical SMILES for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide is CCc1ccc(-n2c(C(CC)N(Cc3ccco3)C(=O)c3ccc4ccccc4c3)nc3ccccc3c2=O)cc1.

What is the InChIKey of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?

The InChIKey is KSEJHNODSNZBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3O3/c1-3-24-15-19-28(20-16-24)38-33(36-31-14-8-7-13-30(31)35(38)40)32(4-2)37(23-29-12-9-21-41-29)34(39)27-18-17-25-10-5-6-11-26(25)22-27/h5-22,32H,3-4,23H2,1-2H3.

What are the key properties of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 541.65 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 5197721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).