4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline

C23H26FN5O3 — CID 118589098

IUPAC4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
SMILESCOC[C@@]1(c2nc3c(c(-c4ccc(F)c(OC)c4)c2-c2nn[nH]n2)CCCC3)CCCO1
InChIInChI=1S/C23H26FN5O3/c1-30-13-23(10-5-11-32-23)21-20(22-26-28-29-27-22)19(15-6-3-4-7-17(15)25-21)14-8-9-16(24)18(12-14)31-2/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,26,27,28,29)/t23-/m1/s1
InChIKeyIQNVRRMFSRDRQV-HSZRJFAPSA-N
MW439.49 g/mol
LogP3.61
Rot. Bonds6

About 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline

4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 118589098) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID118589098
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
SMILESCOC[C@@]1(c2nc3c(c(-c4ccc(F)c(OC)c4)c2-c2nn[nH]n2)CCCC3)CCCO1
InChIInChI=1S/C23H26FN5O3/c1-30-13-23(10-5-11-32-23)21-20(22-26-28-29-27-22)19(15-6-3-4-7-17(15)25-21)14-8-9-16(24)18(12-14)31-2/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,26,27,28,29)/t23-/m1/s1
InChIKeyIQNVRRMFSRDRQV-HSZRJFAPSA-N
XLogP3.61
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline 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
4-(3-chlorophenyl)-2-[1-(methoxymethyl)cyclopentyl]-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043177
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-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen
CID 144576807
2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589255
6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589089
2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136889662
4-(3-fluorophenyl)-2-hexan-3-yloxy-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 144576758
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-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107922821
2-tert-butyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043074

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline (CID 118589098) is 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline is COC[C@@]1(c2nc3c(c(-c4ccc(F)c(OC)c4)c2-c2nn[nH]n2)CCCC3)CCCO1.
What is the InChIKey of 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is IQNVRRMFSRDRQV-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-30-13-23(10-5-11-32-23)21-20(22-26-28-29-27-22)19(15-6-3-4-7-17(15)25-21)14-8-9-16(24)18(12-14)31-2/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,26,27,28,29)/t23-/m1/s1.
What are the key properties of 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 439.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118589098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).