[5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol

C24H25N3O3S — CID 146197308

About [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol

[5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol (PubChem CID 146197308) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol.

Molecular Properties

• Compound Name: [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol
• PubChem CID: 146197308
• Molecular Formula: C24H25N3O3S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.16
• IUPAC Name: [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol
• SMILES: COc1cc2nc(C)nc(N[C@H](C)c3cccc(-c4ccc(CO)s4)c3)c2cc1OC
• InChI: InChI=1S/C24H25N3O3S/c1-14(16-6-5-7-17(10-16)23-9-8-18(13-28)31-23)25-24-19-11-21(29-3)22(30-4)12-20(19)26-15(2)27-24/h5-12,14,28H,13H2,1-4H3,(H,25,26,27)/t14-/m1/s1
• InChIKey: RIQKKZJSMOYXID-CQSZACIVSA-N
• XLogP: 5.35
• TPSA: 76.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol?

The IUPAC name of [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol (CID 146197308) is [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol.

What is the SMILES notation for [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol?

The canonical SMILES for [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol is COc1cc2nc(C)nc(N[C@H](C)c3cccc(-c4ccc(CO)s4)c3)c2cc1OC.

What is the InChIKey of [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol?

The InChIKey is RIQKKZJSMOYXID-CQSZACIVSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-14(16-6-5-7-17(10-16)23-9-8-18(13-28)31-23)25-24-19-11-21(29-3)22(30-4)12-20(19)26-15(2)27-24/h5-12,14,28H,13H2,1-4H3,(H,25,26,27)/t14-/m1/s1.

What are the key properties of [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol?

[5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol has a molecular weight of 435.55 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol is sourced from PubChem (CID 146197308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).