3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine

C19H18Cl2N2O2 — CID 139385472

IUPAC3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine
SMILESCOc1cc(OC)c(C(C)C)c(-c2cc3cnc(Cl)cc3cn2)c1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-10(2)17-14(24-3)7-15(25-4)19(21)18(17)13-5-11-9-23-16(20)6-12(11)8-22-13/h5-10H,1-4H3
InChIKeyTYFUQNIUIZIYRK-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.74
Rot. Bonds4

About 3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine

3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine (PubChem CID 139385472) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine.

Molecular Properties

Compound Name3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine
PubChem CID139385472
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine
SMILESCOc1cc(OC)c(C(C)C)c(-c2cc3cnc(Cl)cc3cn2)c1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-10(2)17-14(24-3)7-15(25-4)19(21)18(17)13-5-11-9-23-16(20)6-12(11)8-22-13/h5-10H,1-4H3
InChIKeyTYFUQNIUIZIYRK-UHFFFAOYSA-N
XLogP5.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine?
The IUPAC name of 3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine (CID 139385472) is 3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine.
What is the SMILES notation for 3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine?
The canonical SMILES for 3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine is COc1cc(OC)c(C(C)C)c(-c2cc3cnc(Cl)cc3cn2)c1Cl.
What is the InChIKey of 3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine?
The InChIKey is TYFUQNIUIZIYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-10(2)17-14(24-3)7-15(25-4)19(21)18(17)13-5-11-9-23-16(20)6-12(11)8-22-13/h5-10H,1-4H3.
What are the key properties of 3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine?
3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine has a molecular weight of 377.27 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine is sourced from PubChem (CID 139385472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).