6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one

C30H30N4O2S — CID 11995647

About 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one

6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 11995647) has the molecular formula C30H30N4O2S and a molecular weight of 510.66 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 11995647
• Molecular Formula: C30H30N4O2S
• Molecular Weight: 510.66 g/mol
• Exact Mass: 510.21
• IUPAC Name: 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(C)(C)c1ccc(-c2cc3ncn(-c4ccc5nc(CN6CCOCC6)ccc5c4)c(=O)c3s2)cc1
• InChI: InChI=1S/C30H30N4O2S/c1-30(2,3)22-7-4-20(5-8-22)27-17-26-28(37-27)29(35)34(19-31-26)24-10-11-25-21(16-24)6-9-23(32-25)18-33-12-14-36-15-13-33/h4-11,16-17,19H,12-15,18H2,1-3H3
• InChIKey: WBOXTZAPRORPKG-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 60.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.66
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one (CID 11995647) is 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one is CC(C)(C)c1ccc(-c2cc3ncn(-c4ccc5nc(CN6CCOCC6)ccc5c4)c(=O)c3s2)cc1.

What is the InChIKey of 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?

The InChIKey is WBOXTZAPRORPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2S/c1-30(2,3)22-7-4-20(5-8-22)27-17-26-28(37-27)29(35)34(19-31-26)24-10-11-25-21(16-24)6-9-23(32-25)18-33-12-14-36-15-13-33/h4-11,16-17,19H,12-15,18H2,1-3H3.

What are the key properties of 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?

6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 510.66 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 11995647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).