6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline

C23H27N5O — CID 118589089

IUPAC6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCC1(C)CCc2nc([C@@]3(C)CCCO3)c(-c3nn[nH]n3)c(-c3ccccc3)c2C1
InChIInChI=1S/C23H27N5O/c1-22(2)12-10-17-16(14-22)18(15-8-5-4-6-9-15)19(21-25-27-28-26-21)20(24-17)23(3)11-7-13-29-23/h4-6,8-9H,7,10-14H2,1-3H3,(H,25,26,27,28)/t23-/m1/s1
InChIKeyWAXFOMQRFSPVOG-HSZRJFAPSA-N
MW389.50 g/mol
LogP4.47
Rot. Bonds3

About 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline

6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (PubChem CID 118589089) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.

Molecular Properties

Compound Name6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
PubChem CID118589089
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCC1(C)CCc2nc([C@@]3(C)CCCO3)c(-c3nn[nH]n3)c(-c3ccccc3)c2C1
InChIInChI=1S/C23H27N5O/c1-22(2)12-10-17-16(14-22)18(15-8-5-4-6-9-15)19(21-25-27-28-26-21)20(24-17)23(3)11-7-13-29-23/h4-6,8-9H,7,10-14H2,1-3H3,(H,25,26,27,28)/t23-/m1/s1
InChIKeyWAXFOMQRFSPVOG-HSZRJFAPSA-N
XLogP4.47
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline with MolForge

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Related Compounds

2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 90042826
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
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-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589255
2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589193
2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589153
2-tert-butyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043074
4-(3-chlorophenyl)-2-[1-(methoxymethyl)cyclopentyl]-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043177
4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589098
2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73294924
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
6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline
CID 71271580

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The IUPAC name of 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (CID 118589089) is 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.
What is the SMILES notation for 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The canonical SMILES for 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is CC1(C)CCc2nc([C@@]3(C)CCCO3)c(-c3nn[nH]n3)c(-c3ccccc3)c2C1.
What is the InChIKey of 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The InChIKey is WAXFOMQRFSPVOG-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H27N5O/c1-22(2)12-10-17-16(14-22)18(15-8-5-4-6-9-15)19(21-25-27-28-26-21)20(24-17)23(3)11-7-13-29-23/h4-6,8-9H,7,10-14H2,1-3H3,(H,25,26,27,28)/t23-/m1/s1.
What are the key properties of 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline has a molecular weight of 389.50 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is sourced from PubChem (CID 118589089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).