2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline

C27H22N6O — CID 10275431

IUPAC2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline
SMILESCn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2cc(OCc3ccc4ccccc4n3)ccc21
InChIInChI=1S/C27H22N6O/c1-33-16-21(14-18-5-4-7-20(13-18)27-29-31-32-30-27)24-15-23(11-12-26(24)33)34-17-22-10-9-19-6-2-3-8-25(19)28-22/h2-13,15-16H,14,17H2,1H3,(H,29,30,31,32)
InChIKeyKUZALXUPGGNAOM-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.08
Rot. Bonds6

About 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline

2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline (PubChem CID 10275431) has the molecular formula C27H22N6O and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline.

Molecular Properties

Compound Name2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline
PubChem CID10275431
Molecular FormulaC27H22N6O
Molecular Weight446.51 g/mol
Exact Mass446.19
IUPAC Name2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline
SMILESCn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2cc(OCc3ccc4ccccc4n3)ccc21
InChIInChI=1S/C27H22N6O/c1-33-16-21(14-18-5-4-7-20(13-18)27-29-31-32-30-27)24-15-23(11-12-26(24)33)34-17-22-10-9-19-6-2-3-8-25(19)28-22/h2-13,15-16H,14,17H2,1H3,(H,29,30,31,32)
InChIKeyKUZALXUPGGNAOM-UHFFFAOYSA-N
XLogP5.08
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline with MolForge

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Related Compounds

6-{5-[(2S)-2-amino-3-(1-methyl-1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646996
Diaplasinin
CID 6450820
2-{3-[3-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 9909426
2-[3-(1H-Tetrazol-5-yl)-phenoxymethyl]-quinoline
CID 9948371
2-(3-{2-[3-(1H-Tetrazol-5-yl)-phenyl]-vinyl}-phenoxymethyl)-quinoline
CID 10222948
2-{4-[3-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethyl}-quinoline
CID 10223216
2-(3-{2-[3-(1H-Tetrazol-5-yl)-phenyl]-ethyl}-phenoxymethyl)-quinoline
CID 10294833
1-(2,2-dimethylpropyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)phenoxy]butoxy}-1H-indole
CID 11271167
1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole
CID 11951099
1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-benzyloxy}-1H-indole
CID 11951447
1-(2,2-Dimethyl-propyl)-4-propyl-5-{3-[4-(1H-tetrazol-5-yl)-phenoxy]-benzyloxy}-1H-indole
CID 11951449
1-Cyclohexylmethyl-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-1H-indole
CID 11951806

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline?
The IUPAC name of 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline (CID 10275431) is 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline.
What is the SMILES notation for 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline?
The canonical SMILES for 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline is Cn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2cc(OCc3ccc4ccccc4n3)ccc21.
What is the InChIKey of 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline?
The InChIKey is KUZALXUPGGNAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O/c1-33-16-21(14-18-5-4-7-20(13-18)27-29-31-32-30-27)24-15-23(11-12-26(24)33)34-17-22-10-9-19-6-2-3-8-25(19)28-22/h2-13,15-16H,14,17H2,1H3,(H,29,30,31,32).
What are the key properties of 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline?
2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline has a molecular weight of 446.51 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline is sourced from PubChem (CID 10275431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).