N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine

C22H22Cl2N4O4 — CID 10050705

About N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine

N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine (PubChem CID 10050705) has the molecular formula C22H22Cl2N4O4 and a molecular weight of 477.35 g/mol. Its IUPAC name is N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

• Compound Name: N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine
• PubChem CID: 10050705
• Molecular Formula: C22H22Cl2N4O4
• Molecular Weight: 477.35 g/mol
• Exact Mass: 476.10
• IUPAC Name: N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine
• SMILES: COCCOc1cc2c(cc1OC)Cc1c(Nc3cc(OC)c(Cl)cc3Cl)ncnc1N2
• InChI: InChI=1S/C22H22Cl2N4O4/c1-29-4-5-32-20-9-16-12(7-19(20)31-3)6-13-21(27-16)25-11-26-22(13)28-17-10-18(30-2)15(24)8-14(17)23/h7-11H,4-6H2,1-3H3,(H2,25,26,27,28)
• InChIKey: XMAKXDZNYHCNHY-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 86.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.35
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine?

The IUPAC name of N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine (CID 10050705) is N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine.

What is the SMILES notation for N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine?

The canonical SMILES for N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine is COCCOc1cc2c(cc1OC)Cc1c(Nc3cc(OC)c(Cl)cc3Cl)ncnc1N2.

What is the InChIKey of N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine?

The InChIKey is XMAKXDZNYHCNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O4/c1-29-4-5-32-20-9-16-12(7-19(20)31-3)6-13-21(27-16)25-11-26-22(13)28-17-10-18(30-2)15(24)8-14(17)23/h7-11H,4-6H2,1-3H3,(H2,25,26,27,28).

What are the key properties of N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine?

N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine has a molecular weight of 477.35 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-methoxyethoxy)-5,10-dihydropyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 10050705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).