(7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C18H17N5O2S — CID 69449499

About (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

(7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69449499) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 69449499
• Molecular Formula: C18H17N5O2S
• Molecular Weight: 367.43 g/mol
• Exact Mass: 367.11
• IUPAC Name: (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
• SMILES: COc1cccc(-c2scnc2[C@H]2CC(=O)c3c(C)nc(N)nc3C2)n1
• InChI: InChI=1S/C18H17N5O2S/c1-9-15-12(23-18(19)21-9)6-10(7-13(15)24)16-17(26-8-20-16)11-4-3-5-14(22-11)25-2/h3-5,8,10H,6-7H2,1-2H3,(H2,19,21,23)/t10-/m1/s1
• InChIKey: MSMOHKMKHWYAMW-SNVBAGLBSA-N
• XLogP: 2.81
• TPSA: 103.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.43
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 69449499) is (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is COc1cccc(-c2scnc2[C@H]2CC(=O)c3c(C)nc(N)nc3C2)n1.

What is the InChIKey of (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is MSMOHKMKHWYAMW-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-9-15-12(23-18(19)21-9)6-10(7-13(15)24)16-17(26-8-20-16)11-4-3-5-14(22-11)25-2/h3-5,8,10H,6-7H2,1-2H3,(H2,19,21,23)/t10-/m1/s1.

What are the key properties of (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

(7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 367.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-amino-7-[5-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69449499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).