3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C26H27N5O4 — CID 135959744

About 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135959744) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• PubChem CID: 135959744
• Molecular Formula: C26H27N5O4
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• SMILES: Cc1cccc2c(=O)n(CCC(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@H]3CCCO3)cnc12
• InChI: InChI=1S/C26H27N5O4/c1-17-6-4-9-20-24(17)27-16-30(26(20)34)12-11-23(32)31(14-18-7-5-13-35-18)15-22-28-21-10-3-2-8-19(21)25(33)29-22/h2-4,6,8-10,16,18H,5,7,11-15H2,1H3,(H,28,29,33)/t18-/m1/s1
• InChIKey: CWWQEYHYCIBWIW-GOSISDBHSA-N
• XLogP: 2.54
• TPSA: 110.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135959744) is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

What is the SMILES notation for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The canonical SMILES for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is Cc1cccc2c(=O)n(CCC(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@H]3CCCO3)cnc12.

What is the InChIKey of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The InChIKey is CWWQEYHYCIBWIW-GOSISDBHSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-17-6-4-9-20-24(17)27-16-30(26(20)34)12-11-23(32)31(14-18-7-5-13-35-18)15-22-28-21-10-3-2-8-19(21)25(33)29-22/h2-4,6,8-10,16,18H,5,7,11-15H2,1H3,(H,28,29,33)/t18-/m1/s1.

What are the key properties of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 473.53 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135959744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).