methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride

C24H29Cl2N5O3 — CID 169154639

About methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride

methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride (PubChem CID 169154639) has the molecular formula C24H29Cl2N5O3 and a molecular weight of 506.43 g/mol. Its IUPAC name is methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride
• PubChem CID: 169154639
• Molecular Formula: C24H29Cl2N5O3
• Molecular Weight: 506.43 g/mol
• Exact Mass: 505.16
• IUPAC Name: methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride
• SMILES: COC(=O)c1nc(Cl)ccc1N[C@H](C)c1cc(C)cc2c(=O)n(C)c(C3CCNCC3)nc12.Cl
• InChI: InChI=1S/C24H28ClN5O3.ClH/c1-13-11-16(14(2)27-18-5-6-19(25)28-21(18)24(32)33-4)20-17(12-13)23(31)30(3)22(29-20)15-7-9-26-10-8-15;/h5-6,11-12,14-15,26-27H,7-10H2,1-4H3;1H/t14-;/m1./s1
• InChIKey: GYIMMYGCYILREU-PFEQFJNWSA-N
• XLogP: 4.14
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.43
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride?

The IUPAC name of methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride (CID 169154639) is methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride.

What is the SMILES notation for methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride?

The canonical SMILES for methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride is COC(=O)c1nc(Cl)ccc1N[C@H](C)c1cc(C)cc2c(=O)n(C)c(C3CCNCC3)nc12.Cl.

What is the InChIKey of methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride?

The InChIKey is GYIMMYGCYILREU-PFEQFJNWSA-N. The full InChI is InChI=1S/C24H28ClN5O3.ClH/c1-13-11-16(14(2)27-18-5-6-19(25)28-21(18)24(32)33-4)20-17(12-13)23(31)30(3)22(29-20)15-7-9-26-10-8-15;/h5-6,11-12,14-15,26-27H,7-10H2,1-4H3;1H/t14-;/m1./s1.

What are the key properties of methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride?

methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride has a molecular weight of 506.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 169154639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).