2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile

C₂₀H₁₈ClN₅O — CID 142478325

About 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile

2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile (PubChem CID 142478325) has the molecular formula C₂₀H₁₈ClN₅O and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
• PubChem CID: 142478325
• Molecular Formula: C₂₀H₁₈ClN₅O
• Molecular Weight: 379.85 g/mol
• Exact Mass: 379.12
• IUPAC Name: 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
• SMILES: Cn1c(=O)cc(NC2CCC2)c2cc(Nc3ccnc(Cl)c3C#N)ccc21
• InChI: InChI=1S/C20H18ClN5O/c1-26-18-6-5-13(25-16-7-8-23-20(21)15(16)11-22)9-14(18)17(10-19(26)27)24-12-3-2-4-12/h5-10,12,24H,2-4H2,1H3,(H,23,25)
• InChIKey: MQMZCCKWOZJPPS-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 82.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.85
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?

The IUPAC name of 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile (CID 142478325) is 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile.

What is the SMILES notation for 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?

The canonical SMILES for 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile is Cn1c(=O)cc(NC2CCC2)c2cc(Nc3ccnc(Cl)c3C#N)ccc21.

What is the InChIKey of 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?

The InChIKey is MQMZCCKWOZJPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-26-18-6-5-13(25-16-7-8-23-20(21)15(16)11-22)9-14(18)17(10-19(26)27)24-12-3-2-4-12/h5-10,12,24H,2-4H2,1H3,(H,23,25).

What are the key properties of 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?

2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile has a molecular weight of 379.85 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 142478325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142478325 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.