6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide

C24H28Cl2N4O4 — CID 145111775

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide

6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide (PubChem CID 145111775) has the molecular formula C24H28Cl2N4O4 and a molecular weight of 507.42 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide.

Molecular Properties

• Compound Name: 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide
• PubChem CID: 145111775
• Molecular Formula: C24H28Cl2N4O4
• Molecular Weight: 507.42 g/mol
• Exact Mass: 506.15
• IUPAC Name: 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide
• SMILES: C1CCOCC1.C=CC(N)=O.COc1cc(OC)c(Cl)c(-c2ccc3nc(N)ncc3c2)c1Cl
• InChI: InChI=1S/C16H13Cl2N3O2.C5H10O.C3H5NO/c1-22-11-6-12(23-2)15(18)13(14(11)17)8-3-4-10-9(5-8)7-20-16(19)21-10;1-2-4-6-5-3-1;1-2-3(4)5/h3-7H,1-2H3,(H2,19,20,21);1-5H2;2H,1H2,(H2,4,5)
• InChIKey: RGDBLBJFADKKKW-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 122.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.42
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide?

The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide (CID 145111775) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide.

What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide?

The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide is C1CCOCC1.C=CC(N)=O.COc1cc(OC)c(Cl)c(-c2ccc3nc(N)ncc3c2)c1Cl.

What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide?

The InChIKey is RGDBLBJFADKKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2.C5H10O.C3H5NO/c1-22-11-6-12(23-2)15(18)13(14(11)17)8-3-4-10-9(5-8)7-20-16(19)21-10;1-2-4-6-5-3-1;1-2-3(4)5/h3-7H,1-2H3,(H2,19,20,21);1-5H2;2H,1H2,(H2,4,5).

What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide?

6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide has a molecular weight of 507.42 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide is sourced from PubChem (CID 145111775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).