7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine

C16H13ClN2O — CID 21073268

IUPAC7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine
SMILESCc1cc(OCc2ccccc2)nc2nc(Cl)ccc12
InChIInChI=1S/C16H13ClN2O/c1-11-9-15(20-10-12-5-3-2-4-6-12)19-16-13(11)7-8-14(17)18-16/h2-9H,10H2,1H3
InChIKeyDECNPXNCQSQCQL-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.17
Rot. Bonds3

About 7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine

7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine (PubChem CID 21073268) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine.

Molecular Properties

Compound Name7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine
PubChem CID21073268
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine
SMILESCc1cc(OCc2ccccc2)nc2nc(Cl)ccc12
InChIInChI=1S/C16H13ClN2O/c1-11-9-15(20-10-12-5-3-2-4-6-12)19-16-13(11)7-8-14(17)18-16/h2-9H,10H2,1H3
InChIKeyDECNPXNCQSQCQL-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine?
The IUPAC name of 7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine (CID 21073268) is 7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine.
What is the SMILES notation for 7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine?
The canonical SMILES for 7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine is Cc1cc(OCc2ccccc2)nc2nc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine?
The InChIKey is DECNPXNCQSQCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-9-15(20-10-12-5-3-2-4-6-12)19-16-13(11)7-8-14(17)18-16/h2-9H,10H2,1H3.
What are the key properties of 7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine?
7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine has a molecular weight of 284.75 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-2-phenylmethoxy-1,8-naphthyridine is sourced from PubChem (CID 21073268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).