6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine

C19H13ClN2O2 — CID 58168145

IUPAC6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine
SMILESCOc1ccc(Oc2ccc3c(Cl)nc4ncccc4c3c2)cc1
InChIInChI=1S/C19H13ClN2O2/c1-23-12-4-6-13(7-5-12)24-14-8-9-15-17(11-14)16-3-2-10-21-19(16)22-18(15)20/h2-11H,1H3
InChIKeyCZFVNMCZCJCRQI-UHFFFAOYSA-N
MW336.78 g/mol
LogP5.24
Rot. Bonds3

About 6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine

6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine (PubChem CID 58168145) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine.

Molecular Properties

Compound Name6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine
PubChem CID58168145
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine
SMILESCOc1ccc(Oc2ccc3c(Cl)nc4ncccc4c3c2)cc1
InChIInChI=1S/C19H13ClN2O2/c1-23-12-4-6-13(7-5-12)24-14-8-9-15-17(11-14)16-3-2-10-21-19(16)22-18(15)20/h2-11H,1H3
InChIKeyCZFVNMCZCJCRQI-UHFFFAOYSA-N
XLogP5.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.78
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine?
The IUPAC name of 6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine (CID 58168145) is 6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine.
What is the SMILES notation for 6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine?
The canonical SMILES for 6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine is COc1ccc(Oc2ccc3c(Cl)nc4ncccc4c3c2)cc1.
What is the InChIKey of 6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine?
The InChIKey is CZFVNMCZCJCRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c1-23-12-4-6-13(7-5-12)24-14-8-9-15-17(11-14)16-3-2-10-21-19(16)22-18(15)20/h2-11H,1H3.
What are the key properties of 6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine?
6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine has a molecular weight of 336.78 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine is sourced from PubChem (CID 58168145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).