2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline

C25H21N5O2 — CID 57281004

IUPAC2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
SMILESCOCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2ccccc2n1
InChIInChI=1S/C25H21N5O2/c1-31-16-19-14-24(21-9-5-6-10-23(21)26-19)32-15-17-11-12-20(18-7-3-2-4-8-18)22(13-17)25-27-29-30-28-25/h2-14H,15-16H2,1H3,(H,27,28,29,30)
InChIKeyKZTSHPNAHJYRRO-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.81
Rot. Bonds7

About 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline

2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline (PubChem CID 57281004) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
PubChem CID57281004
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
SMILESCOCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2ccccc2n1
InChIInChI=1S/C25H21N5O2/c1-31-16-19-14-24(21-9-5-6-10-23(21)26-19)32-15-17-11-12-20(18-7-3-2-4-8-18)22(13-17)25-27-29-30-28-25/h2-14H,15-16H2,1H3,(H,27,28,29,30)
InChIKeyKZTSHPNAHJYRRO-UHFFFAOYSA-N
XLogP4.81
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline with MolForge

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Related Compounds

2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile
CID 57011234
2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
CID 57313427
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
CID 57206384
6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 57006957
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030
3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702
1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine
CID 57152557
2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid
CID 11741515
6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 19771734

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline?
The IUPAC name of 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline (CID 57281004) is 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline.
What is the SMILES notation for 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline?
The canonical SMILES for 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline is COCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2ccccc2n1.
What is the InChIKey of 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline?
The InChIKey is KZTSHPNAHJYRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-31-16-19-14-24(21-9-5-6-10-23(21)26-19)32-15-17-11-12-20(18-7-3-2-4-8-18)22(13-17)25-27-29-30-28-25/h2-14H,15-16H2,1H3,(H,27,28,29,30).
What are the key properties of 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline?
2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline has a molecular weight of 423.48 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline is sourced from PubChem (CID 57281004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).