2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C40H43ClN6O4 — CID 157198172

About 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 157198172) has the molecular formula C40H43ClN6O4 and a molecular weight of 707.28 g/mol. Its IUPAC name is 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

• Compound Name: 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• PubChem CID: 157198172
• Molecular Formula: C40H43ClN6O4
• Molecular Weight: 707.28 g/mol
• Exact Mass: 706.30
• IUPAC Name: 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• SMILES: CC1(C)CCc2nc3cc(O)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(OCc4ccccn4)ccc3c(=O)n2C1.ClCc1ccccn1
• InChI: InChI=1S/C20H21N3O2.C14H16N2O2.C6H6ClN/c1-20(2)9-8-18-22-17-11-15(25-12-14-5-3-4-10-21-14)6-7-16(17)19(24)23(18)13-20;1-14(2)6-5-12-15-11-7-9(17)3-4-10(11)13(18)16(12)8-14;7-5-6-3-1-2-4-8-6/h3-7,10-11H,8-9,12-13H2,1-2H3;3-4,7,17H,5-6,8H2,1-2H3;1-4H,5H2
• InChIKey: AQMICQAVEKQGHB-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 125.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.28
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The IUPAC name of 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 157198172) is 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

What is the SMILES notation for 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The canonical SMILES for 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC1(C)CCc2nc3cc(O)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(OCc4ccccn4)ccc3c(=O)n2C1.ClCc1ccccn1.

What is the InChIKey of 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The InChIKey is AQMICQAVEKQGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.C14H16N2O2.C6H6ClN/c1-20(2)9-8-18-22-17-11-15(25-12-14-5-3-4-10-21-14)6-7-16(17)19(24)23(18)13-20;1-14(2)6-5-12-15-11-7-9(17)3-4-10(11)13(18)16(12)8-14;7-5-6-3-1-2-4-8-6/h3-7,10-11H,8-9,12-13H2,1-2H3;3-4,7,17H,5-6,8H2,1-2H3;1-4H,5H2.

What are the key properties of 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 707.28 g/mol, XLogP of 7.24, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)pyridine;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 157198172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).