(2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide

C25H29N5O5S — CID 92694544

About (2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide

(2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide (PubChem CID 92694544) has the molecular formula C25H29N5O5S and a molecular weight of 511.60 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide.

Molecular Properties

• Compound Name: (2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide
• PubChem CID: 92694544
• Molecular Formula: C25H29N5O5S
• Molecular Weight: 511.60 g/mol
• Exact Mass: 511.19
• IUPAC Name: (2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide
• SMILES: CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccco3)C(=O)N12)C(=O)NCCCOC
• InChI: InChI=1S/C25H29N5O5S/c1-3-20(23(32)26-11-7-12-34-2)36-25-29-18-10-5-4-9-17(18)22-28-19(24(33)30(22)25)14-21(31)27-15-16-8-6-13-35-16/h4-6,8-10,13,19-20H,3,7,11-12,14-15H2,1-2H3,(H,26,32)(H,27,31)/t19-,20+/m1/s1
• InChIKey: RUBBAQOQMGPOHD-UXHICEINSA-N
• XLogP: 2.61
• TPSA: 125.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.60
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide (CID 92694544) is (2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide.

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

The canonical SMILES for (2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide is CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccco3)C(=O)N12)C(=O)NCCCOC.

What is the InChIKey of (2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide?

The InChIKey is RUBBAQOQMGPOHD-UXHICEINSA-N. The full InChI is InChI=1S/C25H29N5O5S/c1-3-20(23(32)26-11-7-12-34-2)36-25-29-18-10-5-4-9-17(18)22-28-19(24(33)30(22)25)14-21(31)27-15-16-8-6-13-35-16/h4-6,8-10,13,19-20H,3,7,11-12,14-15H2,1-2H3,(H,26,32)(H,27,31)/t19-,20+/m1/s1.

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

(2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide has a molecular weight of 511.60 g/mol, XLogP of 2.61, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2R)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)butanamide is sourced from PubChem (CID 92694544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).