7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one

C27H21N5O4 — CID 15675885

IUPAC7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2nn[nH]n2)Oc2cc(COc3cccc(OCc4ccc5ccccc5n4)c3)ccc21
InChIInChI=1S/C27H21N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-12-17(8-11-22(24)25)15-34-20-5-3-6-21(13-20)35-16-19-10-9-18-4-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,29,30,31,32)
InChIKeyIAGCJPRHIHQXHK-UHFFFAOYSA-N
MW479.50 g/mol
LogP4.61
Rot. Bonds7

About 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one

7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one (PubChem CID 15675885) has the molecular formula C27H21N5O4 and a molecular weight of 479.50 g/mol. Its IUPAC name is 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one
PubChem CID15675885
Molecular FormulaC27H21N5O4
Molecular Weight479.50 g/mol
Exact Mass479.16
IUPAC Name7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2nn[nH]n2)Oc2cc(COc3cccc(OCc4ccc5ccccc5n4)c3)ccc21
InChIInChI=1S/C27H21N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-12-17(8-11-22(24)25)15-34-20-5-3-6-21(13-20)35-16-19-10-9-18-4-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,29,30,31,32)
InChIKeyIAGCJPRHIHQXHK-UHFFFAOYSA-N
XLogP4.61
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one with MolForge

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Related Compounds

7-{2-[3-(Quinolin-2-ylmethoxy)-phenyl]-ethyl}-2-(1H-tetrazol-5-yl)-chroman-4-one
CID 15675873
7-[3-(Quinolin-2-ylmethoxy)-benzyloxy]-2-(1H-tetrazol-5-yl)-chroman-4-one
CID 15675874
4-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-3-(1H-tetrazol-5-ylmethoxy)-benzoic acid methyl ester
CID 9827188
2-{3-Methyl-5-[3-(1H-tetrazol-5-yl)-propoxy]-phenoxymethyl}-quinoline
CID 9885950
2-{3-[3-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 9888538
7-[3-(Quinolin-2-ylmethoxy)-benzyloxy]-2-(1H-tetrazol-5-yl)-chromen-4-one
CID 10050711
2-{3-[4-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-phenoxymethyl}-quinoline
CID 10114089
2-{3-[3-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethyl}-quinoline
CID 10158417
2-{3-[4-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethyl}-quinoline
CID 10158419
2-{3-[4-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 10202522
2-{3-[3-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-phenoxymethyl}-quinoline
CID 10203560
1-(5-((1H-tetrazol-5-yl)methoxy)-2-hydroxyphenyl)-3-(3-(2-(quinolin-2-yl)vinyl)phenyl)prop-2-en-1-one
CID 10600630

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one (CID 15675885) is 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one is O=C1CC(c2nn[nH]n2)Oc2cc(COc3cccc(OCc4ccc5ccccc5n4)c3)ccc21.
What is the InChIKey of 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one?
The InChIKey is IAGCJPRHIHQXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-12-17(8-11-22(24)25)15-34-20-5-3-6-21(13-20)35-16-19-10-9-18-4-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,29,30,31,32).
What are the key properties of 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one?
7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one has a molecular weight of 479.50 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 15675885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).