2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline

C23H31N7O — CID 118589153

IUPAC2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCOCC1(c2nc3c(c(-c4ccnn4C)c2-c2nn[nH]n2)CC(C)(C)CC3)CCCC1
InChIInChI=1S/C23H31N7O/c1-22(2)11-7-16-15(13-22)18(17-8-12-24-30(17)3)19(21-26-28-29-27-21)20(25-16)23(14-31-4)9-5-6-10-23/h8,12H,5-7,9-11,13-14H2,1-4H3,(H,26,27,28,29)
InChIKeyBGVCOVJKSCNIPV-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.64
Rot. Bonds5

About 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline

2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (PubChem CID 118589153) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.

Molecular Properties

Compound Name2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
PubChem CID118589153
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC Name2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCOCC1(c2nc3c(c(-c4ccnn4C)c2-c2nn[nH]n2)CC(C)(C)CC3)CCCC1
InChIInChI=1S/C23H31N7O/c1-22(2)11-7-16-15(13-22)18(17-8-12-24-30(17)3)19(21-26-28-29-27-21)20(25-16)23(14-31-4)9-5-6-10-23/h8,12H,5-7,9-11,13-14H2,1-4H3,(H,26,27,28,29)
InChIKeyBGVCOVJKSCNIPV-UHFFFAOYSA-N
XLogP3.64
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline with MolForge

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Related Compounds

2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589193
6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589186
2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043658
4-(3-chlorophenyl)-2-[1-(methoxymethyl)cyclopentyl]-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043177
N,N-diethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-amine
CID 90042931
4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73296264
2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
CID 118589217
5-[1-(methoxymethyl)cyclopentyl]-2H-tetrazole
CID 126818421
2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589255
2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen
CID 144576807
4-(1H-indazol-4-yl)-2-[1-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 90043239
N-benzyl-2-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 142797818

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The IUPAC name of 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (CID 118589153) is 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.
What is the SMILES notation for 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The canonical SMILES for 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is COCC1(c2nc3c(c(-c4ccnn4C)c2-c2nn[nH]n2)CC(C)(C)CC3)CCCC1.
What is the InChIKey of 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The InChIKey is BGVCOVJKSCNIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-22(2)11-7-16-15(13-22)18(17-8-12-24-30(17)3)19(21-26-28-29-27-21)20(25-16)23(14-31-4)9-5-6-10-23/h8,12H,5-7,9-11,13-14H2,1-4H3,(H,26,27,28,29).
What are the key properties of 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline has a molecular weight of 421.55 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is sourced from PubChem (CID 118589153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).