6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline

C19H21F2N7O — CID 118589186

IUPAC6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCn1nccc1-c1c2c(nc(C3(C)CCCO3)c1-c1nn[nH]n1)CCC(F)(F)C2
InChIInChI=1S/C19H21F2N7O/c1-18(6-3-9-29-18)16-15(17-24-26-27-25-17)14(13-5-8-22-28(13)2)11-10-19(20,21)7-4-12(11)23-16/h5,8H,3-4,6-7,9-10H2,1-2H3,(H,24,25,26,27)
InChIKeyFLBDPZRPSJYBSC-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.81
Rot. Bonds3

About 6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline

6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (PubChem CID 118589186) has the molecular formula C19H21F2N7O and a molecular weight of 401.42 g/mol. Its IUPAC name is 6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.

Molecular Properties

Compound Name6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
PubChem CID118589186
Molecular FormulaC19H21F2N7O
Molecular Weight401.42 g/mol
Exact Mass401.18
IUPAC Name6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCn1nccc1-c1c2c(nc(C3(C)CCCO3)c1-c1nn[nH]n1)CCC(F)(F)C2
InChIInChI=1S/C19H21F2N7O/c1-18(6-3-9-29-18)16-15(17-24-26-27-25-17)14(13-5-8-22-28(13)2)11-10-19(20,21)7-4-12(11)23-16/h5,8H,3-4,6-7,9-10H2,1-2H3,(H,24,25,26,27)
InChIKeyFLBDPZRPSJYBSC-UHFFFAOYSA-N
XLogP2.81
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline 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-[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
6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589089
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
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
2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
CID 118589217
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-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589255
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-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043658
2-(3,3-difluoropyrrolidin-1-yl)-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 123698479
4-(3-chlorophenyl)-2-[1-(methoxymethyl)cyclopentyl]-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043177

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The IUPAC name of 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) is 6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.
What is the SMILES notation for 6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The canonical SMILES for 6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is Cn1nccc1-c1c2c(nc(C3(C)CCCO3)c1-c1nn[nH]n1)CCC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The InChIKey is FLBDPZRPSJYBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O/c1-18(6-3-9-29-18)16-15(17-24-26-27-25-17)14(13-5-8-22-28(13)2)11-10-19(20,21)7-4-12(11)23-16/h5,8H,3-4,6-7,9-10H2,1-2H3,(H,24,25,26,27).
What are the key properties of 6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline has a molecular weight of 401.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is sourced from PubChem (CID 118589186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).