5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine

C₁₉H₂₀N₄O₂ — CID 19257093

About 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine

5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine (PubChem CID 19257093) has the molecular formula C₁₉H₂₀N₄O₂ and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

• Compound Name: 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
• PubChem CID: 19257093
• Molecular Formula: C₁₉H₂₀N₄O₂
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.16
• IUPAC Name: 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
• SMILES: COc1ccc(-c2c3c(nc4ncnc(N)c24)CCCC3)c(OC)c1
• InChI: InChI=1S/C19H20N4O2/c1-24-11-7-8-13(15(9-11)25-2)16-12-5-3-4-6-14(12)23-19-17(16)18(20)21-10-22-19/h7-10H,3-6H2,1-2H3,(H2,20,21,22,23)
• InChIKey: GGQZEQNPINXBKD-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 83.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?

The IUPAC name of 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine (CID 19257093) is 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine.

What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?

The canonical SMILES for 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine is COc1ccc(-c2c3c(nc4ncnc(N)c24)CCCC3)c(OC)c1.

What is the InChIKey of 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?

The InChIKey is GGQZEQNPINXBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-11-7-8-13(15(9-11)25-2)16-12-5-3-4-6-14(12)23-19-17(16)18(20)21-10-22-19/h7-10H,3-6H2,1-2H3,(H2,20,21,22,23).

What are the key properties of 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?

5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 19257093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19257093 — identifiers, structure, computed properties (public domain)

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