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

C23H22ClN5O — CID 164517420

IUPAC6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline
SMILESCOCC1(c2nc3ccc(Cl)cc3c(-c3ccccc3)c2-c2nn[nH]n2)CCCC1
InChIInChI=1S/C23H22ClN5O/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)17-13-16(24)9-10-18(17)25-21/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,26,27,28,29)
InChIKeyHPBQJXXLNNONRC-UHFFFAOYSA-N
MW419.92 g/mol
LogP5.19
Rot. Bonds5

About 6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline

6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline (PubChem CID 164517420) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline.

Molecular Properties

Compound Name6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline
PubChem CID164517420
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline
SMILESCOCC1(c2nc3ccc(Cl)cc3c(-c3ccccc3)c2-c2nn[nH]n2)CCCC1
InChIInChI=1S/C23H22ClN5O/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)17-13-16(24)9-10-18(17)25-21/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,26,27,28,29)
InChIKeyHPBQJXXLNNONRC-UHFFFAOYSA-N
XLogP5.19
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.92
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline?
The IUPAC name of 6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline (CID 164517420) is 6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline.
What is the SMILES notation for 6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline?
The canonical SMILES for 6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline is COCC1(c2nc3ccc(Cl)cc3c(-c3ccccc3)c2-c2nn[nH]n2)CCCC1.
What is the InChIKey of 6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline?
The InChIKey is HPBQJXXLNNONRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/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)17-13-16(24)9-10-18(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 6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline?
6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline has a molecular weight of 419.92 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline is sourced from PubChem (CID 164517420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).