3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one

C28H34N6O — CID 1464070

IUPAC3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(CN(Cc3nnnn3CCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C28H34N6O/c1-20-15-21(2)25-17-23(28(35)29-26(25)16-20)18-33(24-11-7-4-8-12-24)19-27-30-31-32-34(27)14-13-22-9-5-3-6-10-22/h3,5-6,9-10,15-17,24H,4,7-8,11-14,18-19H2,1-2H3,(H,29,35)
InChIKeyOZQJARXOTQGPGR-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.71
Rot. Bonds8

About 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one

3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one (PubChem CID 1464070) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
PubChem CID1464070
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(CN(Cc3nnnn3CCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C28H34N6O/c1-20-15-21(2)25-17-23(28(35)29-26(25)16-20)18-33(24-11-7-4-8-12-24)19-27-30-31-32-34(27)14-13-22-9-5-3-6-10-22/h3,5-6,9-10,15-17,24H,4,7-8,11-14,18-19H2,1-2H3,(H,29,35)
InChIKeyOZQJARXOTQGPGR-UHFFFAOYSA-N
XLogP4.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[cyclopentyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1463915
3-[[cyclopentyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 4171458
3-[[cyclopentyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3186310
3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171383
3-[[benzyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171412
3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1171547
3-[[(1-benzyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171766
3-[[benzyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1463855
5,7-dimethyl-3-[(S)-(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1471211
3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171457
3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 653768
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1464110

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one (CID 1464070) is 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2cc(CN(Cc3nnnn3CCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The InChIKey is OZQJARXOTQGPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c1-20-15-21(2)25-17-23(28(35)29-26(25)16-20)18-33(24-11-7-4-8-12-24)19-27-30-31-32-34(27)14-13-22-9-5-3-6-10-22/h3,5-6,9-10,15-17,24H,4,7-8,11-14,18-19H2,1-2H3,(H,29,35).
What are the key properties of 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one has a molecular weight of 470.62 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 1464070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).