3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one

C25H28N6O2 — CID 1171547

IUPAC3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C25H28N6O2/c1-33-22-12-11-19-13-20(25(32)26-23(19)14-22)16-30(21-9-5-6-10-21)17-24-27-28-29-31(24)15-18-7-3-2-4-8-18/h2-4,7-8,11-14,21H,5-6,9-10,15-17H2,1H3,(H,26,32)
InChIKeyPOSWLFASUJCLEC-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.52
Rot. Bonds8

About 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one

3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 1171547) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID1171547
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C25H28N6O2/c1-33-22-12-11-19-13-20(25(32)26-23(19)14-22)16-30(21-9-5-6-10-21)17-24-27-28-29-31(24)15-18-7-3-2-4-8-18/h2-4,7-8,11-14,21H,5-6,9-10,15-17H2,1H3,(H,26,32)
InChIKeyPOSWLFASUJCLEC-UHFFFAOYSA-N
XLogP3.52
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 653768
3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 3199024
3-[[cyclopentyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 4171458
3-[[(1-benzyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171766
ethyl 2-[5-[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171569
3-[[cyclohexyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1171532
6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1171664
3-[[cyclohexyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 652790
3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3203086
7-methoxy-3-[[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1171536
3-[[cyclopentyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1463915
3-[[benzyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1170825

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one (CID 1171547) is 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is POSWLFASUJCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-33-22-12-11-19-13-20(25(32)26-23(19)14-22)16-30(21-9-5-6-10-21)17-24-27-28-29-31(24)15-18-7-3-2-4-8-18/h2-4,7-8,11-14,21H,5-6,9-10,15-17H2,1H3,(H,26,32).
What are the key properties of 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 444.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 1171547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).