7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline

C23H22FN5O — CID 164517401

IUPAC7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline
SMILESCOCC1(c2nc3cc(F)ccc3c(-c3ccccc3)c2-c2nn[nH]n2)CCCC1
InChIInChI=1S/C23H22FN5O/c1-30-14-23(11-5-6-12-23)21-20(22-26-28-29-27-22)19(15-7-3-2-4-8-15)17-10-9-16(24)13-18(17)25-21/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,26,27,28,29)
InChIKeyDRWKNZGJOHPEIG-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.68
Rot. Bonds5

About 7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline

7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline (PubChem CID 164517401) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline.

Molecular Properties

Compound Name7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline
PubChem CID164517401
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline
SMILESCOCC1(c2nc3cc(F)ccc3c(-c3ccccc3)c2-c2nn[nH]n2)CCCC1
InChIInChI=1S/C23H22FN5O/c1-30-14-23(11-5-6-12-23)21-20(22-26-28-29-27-22)19(15-7-3-2-4-8-15)17-10-9-16(24)13-18(17)25-21/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,26,27,28,29)
InChIKeyDRWKNZGJOHPEIG-UHFFFAOYSA-N
XLogP4.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589084
(5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine
CID 168300838
(6S)-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 170855702
6,6-difluoro-2-[1-(methoxymethyl)cyclopentyl]-4-(2-methylpyridin-4-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 90041882
[1-[4-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol
CID 90042344
4-(4-fluorophenyl)-2-[1-(methoxymethyl)cyclopentyl]-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90042667
6,6-difluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589088
6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589109
6,6-difluoro-2-[1-(methoxymethyl)cyclohexyl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589189
6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline
CID 164517420
2-[[5-(3-Phenylpropyl)tetrazol-2-yl]oxymethyl]quinoline
CID 70472277
2-[1-(methoxymethyl)cyclopentyl]-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 90042818

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline?
The IUPAC name of 7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline (CID 164517401) is 7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline.
What is the SMILES notation for 7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline?
The canonical SMILES for 7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline is COCC1(c2nc3cc(F)ccc3c(-c3ccccc3)c2-c2nn[nH]n2)CCCC1.
What is the InChIKey of 7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline?
The InChIKey is DRWKNZGJOHPEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-30-14-23(11-5-6-12-23)21-20(22-26-28-29-27-22)19(15-7-3-2-4-8-15)17-10-9-16(24)13-18(17)25-21/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,26,27,28,29).
What are the key properties of 7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline?
7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline has a molecular weight of 403.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline is sourced from PubChem (CID 164517401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).