7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one

C28H23N5O2 — CID 10276409

IUPAC7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2cc(OCc3ccc4ccccc4n3)ccc2CCC1Cc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C28H23N5O2/c34-27-21(14-18-4-3-6-22(15-18)28-30-32-33-31-28)9-8-19-11-13-24(16-25(19)27)35-17-23-12-10-20-5-1-2-7-26(20)29-23/h1-7,10-13,15-16,21H,8-9,14,17H2,(H,30,31,32,33)
InChIKeyOPCQYALGMQJZBQ-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.98
Rot. Bonds6

About 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one

7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10276409) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10276409
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC Name7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2cc(OCc3ccc4ccccc4n3)ccc2CCC1Cc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C28H23N5O2/c34-27-21(14-18-4-3-6-22(15-18)28-30-32-33-31-28)9-8-19-11-13-24(16-25(19)27)35-17-23-12-10-20-5-1-2-7-26(20)29-23/h1-7,10-13,15-16,21H,8-9,14,17H2,(H,30,31,32,33)
InChIKeyOPCQYALGMQJZBQ-UHFFFAOYSA-N
XLogP4.98
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

Bms 183920
CID 127866
2-((4-((2-(2H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline
CID 129044
5-[(2-ethyl-6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 9826888
5-[(2-ethylquinolin-4-yl)oxymethyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10344188
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
7-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-2-(1H-tetrazol-5-yl)-chroman-4-one
CID 15675885
4-(2-((7-(Quinolin-2-ylmethoxy)naphthalen-2-yl)methoxy)ethyl)benzoic acid
CID 9804436
4-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-3-(1H-tetrazol-5-ylmethoxy)-benzoic acid methyl ester
CID 9827188
2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 9842487
2-{3-[3-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 9909426
2-{4-[3-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 9932067

Frequently Asked Questions

What is the IUPAC name of 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 10276409) is 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2cc(OCc3ccc4ccccc4n3)ccc2CCC1Cc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is OPCQYALGMQJZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2/c34-27-21(14-18-4-3-6-22(15-18)28-30-32-33-31-28)9-8-19-11-13-24(16-25(19)27)35-17-23-12-10-20-5-1-2-7-26(20)29-23/h1-7,10-13,15-16,21H,8-9,14,17H2,(H,30,31,32,33).
What are the key properties of 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 461.53 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(quinolin-2-ylmethoxy)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10276409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).