5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine

C19H19ClN4 — CID 44816203

IUPAC5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine
SMILESCN1CCN(c2ccc(-c3cc4ncccc4c(Cl)n3)cc2)CC1
InChIInChI=1S/C19H19ClN4/c1-23-9-11-24(12-10-23)15-6-4-14(5-7-15)17-13-18-16(19(20)22-17)3-2-8-21-18/h2-8,13H,9-12H2,1H3
InChIKeyGUAARHWUVZWQCY-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.70
Rot. Bonds2

About 5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine

5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine (PubChem CID 44816203) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine.

Molecular Properties

Compound Name5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine
PubChem CID44816203
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine
SMILESCN1CCN(c2ccc(-c3cc4ncccc4c(Cl)n3)cc2)CC1
InChIInChI=1S/C19H19ClN4/c1-23-9-11-24(12-10-23)15-6-4-14(5-7-15)17-13-18-16(19(20)22-17)3-2-8-21-18/h2-8,13H,9-12H2,1H3
InChIKeyGUAARHWUVZWQCY-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.70
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 5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine?
The IUPAC name of 5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine (CID 44816203) is 5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine.
What is the SMILES notation for 5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine?
The canonical SMILES for 5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine is CN1CCN(c2ccc(-c3cc4ncccc4c(Cl)n3)cc2)CC1.
What is the InChIKey of 5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine?
The InChIKey is GUAARHWUVZWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-23-9-11-24(12-10-23)15-6-4-14(5-7-15)17-13-18-16(19(20)22-17)3-2-8-21-18/h2-8,13H,9-12H2,1H3.
What are the key properties of 5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine?
5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine has a molecular weight of 338.84 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine is sourced from PubChem (CID 44816203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).