N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide

C21H24N6O5S — CID 135870810

About N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide

N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide (PubChem CID 135870810) has the molecular formula C21H24N6O5S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide
• PubChem CID: 135870810
• Molecular Formula: C21H24N6O5S
• Molecular Weight: 472.53 g/mol
• Exact Mass: 472.15
• IUPAC Name: N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide
• SMILES: COc1c(OCCCNS(C)(=O)=O)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3
• InChI: InChI=1S/C21H24N6O5S/c1-31-18-16(32-12-4-9-24-33(2,29)30)7-6-15-17(18)25-21(27-11-10-23-19(15)27)26-20(28)14-5-3-8-22-13-14/h3,5-8,13,23-24H,4,9-12H2,1-2H3/b26-21+
• InChIKey: FNYJKCJQUIIJOH-YYADALCUSA-N
• XLogP: 0.92
• TPSA: 136.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.53
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide?

The IUPAC name of N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide (CID 135870810) is N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide.

What is the SMILES notation for N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide?

The canonical SMILES for N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide is COc1c(OCCCNS(C)(=O)=O)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.

What is the InChIKey of N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide?

The InChIKey is FNYJKCJQUIIJOH-YYADALCUSA-N. The full InChI is InChI=1S/C21H24N6O5S/c1-31-18-16(32-12-4-9-24-33(2,29)30)7-6-15-17(18)25-21(27-11-10-23-19(15)27)26-20(28)14-5-3-8-22-13-14/h3,5-8,13,23-24H,4,9-12H2,1-2H3/b26-21+.

What are the key properties of N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide?

N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide has a molecular weight of 472.53 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[3-(methanesulfonamido)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide is sourced from PubChem (CID 135870810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).