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

C27H30N4O3S — CID 164824063

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

6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-ylphenyl)thiophen-2-yl]ethyl]quinazolin-4-amine (PubChem CID 164824063) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-ylphenyl)thiophen-2-yl]ethyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-ylphenyl)thiophen-2-yl]ethyl]quinazolin-4-amine
• PubChem CID: 164824063
• Molecular Formula: C27H30N4O3S
• Molecular Weight: 490.63 g/mol
• Exact Mass: 490.20
• IUPAC Name: 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-ylphenyl)thiophen-2-yl]ethyl]quinazolin-4-amine
• SMILES: COc1cc2nc(C)nc(N[C@@H](C)c3ccc(-c4cccc(N5CCOCC5)c4)s3)c2cc1OC
• InChI: InChI=1S/C27H30N4O3S/c1-17(28-27-21-15-23(32-3)24(33-4)16-22(21)29-18(2)30-27)25-8-9-26(35-25)19-6-5-7-20(14-19)31-10-12-34-13-11-31/h5-9,14-17H,10-13H2,1-4H3,(H,28,29,30)/t17-/m0/s1
• InChIKey: RREBZIMAHBSYEY-KRWDZBQOSA-N
• XLogP: 5.69
• TPSA: 68.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.63
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-ylphenyl)thiophen-2-yl]ethyl]quinazolin-4-amine (CID 164824063) is 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-ylphenyl)thiophen-2-yl]ethyl]quinazolin-4-amine.

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

The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-ylphenyl)thiophen-2-yl]ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(N[C@@H](C)c3ccc(-c4cccc(N5CCOCC5)c4)s3)c2cc1OC.

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

The InChIKey is RREBZIMAHBSYEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-17(28-27-21-15-23(32-3)24(33-4)16-22(21)29-18(2)30-27)25-8-9-26(35-25)19-6-5-7-20(14-19)31-10-12-34-13-11-31/h5-9,14-17H,10-13H2,1-4H3,(H,28,29,30)/t17-/m0/s1.

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

6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-ylphenyl)thiophen-2-yl]ethyl]quinazolin-4-amine has a molecular weight of 490.63 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-ylphenyl)thiophen-2-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 164824063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).