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

C28H23N5O3 — CID 15675873

IUPAC7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2nn[nH]n2)Oc2cc(CCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21
InChIInChI=1S/C28H23N5O3/c34-25-16-27(28-30-32-33-31-28)36-26-15-19(10-13-23(25)26)9-8-18-4-3-6-22(14-18)35-17-21-12-11-20-5-1-2-7-24(20)29-21/h1-7,10-15,27H,8-9,16-17H2,(H,30,31,32,33)
InChIKeyJGJWEDAVARVCGK-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.82
Rot. Bonds7

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

7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one (PubChem CID 15675873) has the molecular formula C28H23N5O3 and a molecular weight of 477.52 g/mol. Its IUPAC name is 7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one
PubChem CID15675873
Molecular FormulaC28H23N5O3
Molecular Weight477.52 g/mol
Exact Mass477.18
IUPAC Name7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2nn[nH]n2)Oc2cc(CCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21
InChIInChI=1S/C28H23N5O3/c34-25-16-27(28-30-32-33-31-28)36-26-15-19(10-13-23(25)26)9-8-18-4-3-6-22(14-18)35-17-21-12-11-20-5-1-2-7-24(20)29-21/h1-7,10-15,27H,8-9,16-17H2,(H,30,31,32,33)
InChIKeyJGJWEDAVARVCGK-UHFFFAOYSA-N
XLogP4.82
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226
2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline
CID 14750519
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
2-[[3-[2-benzyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 14750527
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
CID 19864853
2-[[3-[1-phenyl-5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
CID 14750528
2-[[3-[[2-(2H-tetrazol-5-ylmethoxy)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995154
2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline
CID 19856224
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline
CID 54104151
2-[[4-[[3-(2H-tetrazol-1-ium-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 163467105

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one (CID 15675873) is 7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one is O=C1CC(c2nn[nH]n2)Oc2cc(CCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21.
What is the InChIKey of 7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one?
The InChIKey is JGJWEDAVARVCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O3/c34-25-16-27(28-30-32-33-31-28)36-26-15-19(10-13-23(25)26)9-8-18-4-3-6-22(14-18)35-17-21-12-11-20-5-1-2-7-24(20)29-21/h1-7,10-15,27H,8-9,16-17H2,(H,30,31,32,33).
What are the key properties of 7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one?
7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one has a molecular weight of 477.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-2-(2H-tetrazol-5-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 15675873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).