3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one

C26H29FN6O2 — CID 1463896

IUPAC3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(CN(Cc3nnnn3Cc3ccc(F)cc3)C[C@H]3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C26H29FN6O2/c1-17-10-18(2)23-12-20(26(34)28-24(23)11-17)14-32(15-22-4-3-9-35-22)16-25-29-30-31-33(25)13-19-5-7-21(27)8-6-19/h5-8,10-12,22H,3-4,9,13-16H2,1-2H3,(H,28,34)/t22-/m1/s1
InChIKeyGGIUTOKTWHISGV-JOCHJYFZSA-N
MW476.56 g/mol
LogP3.50
Rot. Bonds8

About 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one

3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one (PubChem CID 1463896) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
PubChem CID1463896
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(CN(Cc3nnnn3Cc3ccc(F)cc3)C[C@H]3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C26H29FN6O2/c1-17-10-18(2)23-12-20(26(34)28-24(23)11-17)14-32(15-22-4-3-9-35-22)16-25-29-30-31-33(25)13-19-5-7-21(27)8-6-19/h5-8,10-12,22H,3-4,9,13-16H2,1-2H3,(H,28,34)/t22-/m1/s1
InChIKeyGGIUTOKTWHISGV-JOCHJYFZSA-N
XLogP3.50
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[cyclopentyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1463915
3-[[benzyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1463855
3-[[benzyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171412
5,7-dimethyl-3-[[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 1171381
3-[[(4-methoxyphenyl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171417
3-[[(4-fluorophenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3186219
5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3186304
5,7-dimethyl-3-[[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1171425
6-ethoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 1073177
3-[[cyclopentyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3186310
7-methyl-3-[[(4-methylphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 3199042
3-[[[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 124899445

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one (CID 1463896) is 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2cc(CN(Cc3nnnn3Cc3ccc(F)cc3)C[C@H]3CCCO3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The InChIKey is GGIUTOKTWHISGV-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-17-10-18(2)23-12-20(26(34)28-24(23)11-17)14-32(15-22-4-3-9-35-22)16-25-29-30-31-33(25)13-19-5-7-21(27)8-6-19/h5-8,10-12,22H,3-4,9,13-16H2,1-2H3,(H,28,34)/t22-/m1/s1.
What are the key properties of 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one has a molecular weight of 476.56 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 1463896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).