N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide

C29H29N5O5S — CID 156610876

About N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide

N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (PubChem CID 156610876) has the molecular formula C29H29N5O5S and a molecular weight of 559.65 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
• PubChem CID: 156610876
• Molecular Formula: C29H29N5O5S
• Molecular Weight: 559.65 g/mol
• Exact Mass: 559.19
• IUPAC Name: N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
• SMILES: CCC(SC1=Nc2ccccc2C2=NC(=O)C(CC(=O)NCc3ccccc3OC)N12)C(=O)NCc1ccco1
• InChI: InChI=1S/C29H29N5O5S/c1-3-24(28(37)31-17-19-10-8-14-39-19)40-29-32-21-12-6-5-11-20(21)26-33-27(36)22(34(26)29)15-25(35)30-16-18-9-4-7-13-23(18)38-2/h4-14,22,24H,3,15-17H2,1-2H3,(H,30,35)(H,31,37)
• InChIKey: YMEIZKQDHADOLW-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 125.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.65
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (CID 156610876) is N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is CCC(SC1=Nc2ccccc2C2=NC(=O)C(CC(=O)NCc3ccccc3OC)N12)C(=O)NCc1ccco1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?

The InChIKey is YMEIZKQDHADOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O5S/c1-3-24(28(37)31-17-19-10-8-14-39-19)40-29-32-21-12-6-5-11-20(21)26-33-27(36)22(34(26)29)15-25(35)30-16-18-9-4-7-13-23(18)38-2/h4-14,22,24H,3,15-17H2,1-2H3,(H,30,35)(H,31,37).

What are the key properties of N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?

N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide has a molecular weight of 559.65 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[[3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is sourced from PubChem (CID 156610876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).