6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine

C23H24N4O4S2 — CID 164824047

About 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine

6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine (PubChem CID 164824047) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine
• PubChem CID: 164824047
• Molecular Formula: C23H24N4O4S2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.12
• IUPAC Name: 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine
• SMILES: COc1cc2nc(C)nc(N[C@@H](C)c3ccc(-c4cncc(S(C)(=O)=O)c4)s3)c2cc1OC
• InChI: InChI=1S/C23H24N4O4S2/c1-13(21-6-7-22(32-21)15-8-16(12-24-11-15)33(5,28)29)25-23-17-9-19(30-3)20(31-4)10-18(17)26-14(2)27-23/h6-13H,1-5H3,(H,25,26,27)/t13-/m0/s1
• InChIKey: RHPWATVDCAVVIR-ZDUSSCGKSA-N
• XLogP: 4.66
• TPSA: 103.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine?

The IUPAC name of 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine (CID 164824047) is 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine.

What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine?

The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(N[C@@H](C)c3ccc(-c4cncc(S(C)(=O)=O)c4)s3)c2cc1OC.

What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine?

The InChIKey is RHPWATVDCAVVIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-13(21-6-7-22(32-21)15-8-16(12-24-11-15)33(5,28)29)25-23-17-9-19(30-3)20(31-4)10-18(17)26-14(2)27-23/h6-13H,1-5H3,(H,25,26,27)/t13-/m0/s1.

What are the key properties of 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine?

6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine has a molecular weight of 484.60 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 164824047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).