N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide

C31H37N3O4 — CID 3926733

About N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide

N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide (PubChem CID 3926733) has the molecular formula C31H37N3O4 and a molecular weight of 515.65 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide
• PubChem CID: 3926733
• Molecular Formula: C31H37N3O4
• Molecular Weight: 515.65 g/mol
• Exact Mass: 515.28
• IUPAC Name: N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide
• SMILES: COc1ccccc1-n1c(C(C)N(Cc2ccco2)C(=O)CC(C)CC(C)(C)C)nc2ccccc2c1=O
• InChI: InChI=1S/C31H37N3O4/c1-21(19-31(3,4)5)18-28(35)33(20-23-12-11-17-38-23)22(2)29-32-25-14-8-7-13-24(25)30(36)34(29)26-15-9-10-16-27(26)37-6/h7-17,21-22H,18-20H2,1-6H3
• InChIKey: KQPIWNHADFENPR-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 77.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.65
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide?

The IUPAC name of N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide (CID 3926733) is N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide?

The canonical SMILES for N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide is COc1ccccc1-n1c(C(C)N(Cc2ccco2)C(=O)CC(C)CC(C)(C)C)nc2ccccc2c1=O.

What is the InChIKey of N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide?

The InChIKey is KQPIWNHADFENPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O4/c1-21(19-31(3,4)5)18-28(35)33(20-23-12-11-17-38-23)22(2)29-32-25-14-8-7-13-24(25)30(36)34(29)26-15-9-10-16-27(26)37-6/h7-17,21-22H,18-20H2,1-6H3.

What are the key properties of N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide?

N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide has a molecular weight of 515.65 g/mol, XLogP of 6.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 3926733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).