4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine

C49H45N7O3 — CID 57060331

IUPAC4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine
SMILESCCc1cc(OCc2ccc(-c3ccccc3)c(-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c2)c2nc(OCCN3CCOCC3)ccc2n1
InChIInChI=1S/C49H45N7O3/c1-2-41-34-45(47-44(50-41)25-26-46(51-47)58-32-29-55-27-30-57-31-28-55)59-35-36-23-24-42(37-15-7-3-8-16-37)43(33-36)48-52-54-56(53-48)49(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-26,33-34H,2,27-32,35H2,1H3
InChIKeyRLRKVFSLINXYSS-UHFFFAOYSA-N
MW779.94 g/mol
LogP8.64
Rot. Bonds14

About 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine

4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine (PubChem CID 57060331) has the molecular formula C49H45N7O3 and a molecular weight of 779.94 g/mol. Its IUPAC name is 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine
PubChem CID57060331
Molecular FormulaC49H45N7O3
Molecular Weight779.94 g/mol
Exact Mass779.36
IUPAC Name4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine
SMILESCCc1cc(OCc2ccc(-c3ccccc3)c(-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c2)c2nc(OCCN3CCOCC3)ccc2n1
InChIInChI=1S/C49H45N7O3/c1-2-41-34-45(47-44(50-41)25-26-46(51-47)58-32-29-55-27-30-57-31-28-55)59-35-36-23-24-42(37-15-7-3-8-16-37)43(33-36)48-52-54-56(53-48)49(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-26,33-34H,2,27-32,35H2,1H3
InChIKeyRLRKVFSLINXYSS-UHFFFAOYSA-N
XLogP8.64
TPSA100.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine with MolForge

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Related Compounds

4-[2,6-dimethyl-4-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-3-pyridinyl]benzonitrile
CID 57142702
N-[[2,6-dimethyl-4-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-3-pyridinyl]methyl]acetamide
CID 57206414
2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
CID 57313427
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
CID 130178723
6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 57006957
2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile;ethane
CID 142143781
4-[2-(5-phenyl-2-propan-2-ylphenoxy)ethyl]morpholine
CID 146386321
6-methyl-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinoline-4-carboxylic acid
CID 19814450
4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile
CID 21035033
4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine
CID 71106404
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine (CID 57060331) is 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine is CCc1cc(OCc2ccc(-c3ccccc3)c(-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c2)c2nc(OCCN3CCOCC3)ccc2n1.
What is the InChIKey of 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine?
The InChIKey is RLRKVFSLINXYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H45N7O3/c1-2-41-34-45(47-44(50-41)25-26-46(51-47)58-32-29-55-27-30-57-31-28-55)59-35-36-23-24-42(37-15-7-3-8-16-37)43(33-36)48-52-54-56(53-48)49(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-26,33-34H,2,27-32,35H2,1H3.
What are the key properties of 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine?
4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine has a molecular weight of 779.94 g/mol, XLogP of 8.64, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-ethyl-8-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-1,5-naphthyridin-2-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 57060331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).