7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine

C16H13ClN2O — CID 21073267

IUPAC7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine
SMILESCc1cc2ccc(Cl)nc2nc1OCc1ccccc1
InChIInChI=1S/C16H13ClN2O/c1-11-9-13-7-8-14(17)18-15(13)19-16(11)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyNDSMNEJDBIMWLL-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.17
Rot. Bonds3

About 7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine

7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine (PubChem CID 21073267) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine.

Molecular Properties

Compound Name7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine
PubChem CID21073267
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine
SMILESCc1cc2ccc(Cl)nc2nc1OCc1ccccc1
InChIInChI=1S/C16H13ClN2O/c1-11-9-13-7-8-14(17)18-15(13)19-16(11)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyNDSMNEJDBIMWLL-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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Related Compounds

2-chloro-7-phenylmethoxy-1,8-naphthyridine
CID 21073265
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733
4-chloro-3,5-dimethyl-2-phenylmethoxypyridine
CID 139821187
6-chloro-3-methoxy-2-methyl-4-phenylmethoxypyridine
CID 169250017
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
7-bromo-3-chloro-1-phenylmethoxyisoquinoline
CID 86677086
(1R)-1-(5-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-ol
CID 124501397
2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855
6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine
CID 20820677
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
1-chloro-6-methyl-2-phenylmethoxynaphthalene
CID 143228673
6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 102507798

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine?
The IUPAC name of 7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine (CID 21073267) is 7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine.
What is the SMILES notation for 7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine?
The canonical SMILES for 7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine is Cc1cc2ccc(Cl)nc2nc1OCc1ccccc1.
What is the InChIKey of 7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine?
The InChIKey is NDSMNEJDBIMWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-9-13-7-8-14(17)18-15(13)19-16(11)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine?
7-chloro-3-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-3-methyl-2-phenylmethoxy-1,8-naphthyridine is sourced from PubChem (CID 21073267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).