3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one

C28H34N6O2 — CID 3203086

IUPAC3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CN(C3CCCC3)C(c3nnnn3Cc3ccccc3)C(C)C)cc2c1
InChIInChI=1S/C28H34N6O2/c1-19(2)26(27-30-31-32-34(27)17-20-9-5-4-6-10-20)33(23-11-7-8-12-23)18-22-15-21-16-24(36-3)13-14-25(21)29-28(22)35/h4-6,9-10,13-16,19,23,26H,7-8,11-12,17-18H2,1-3H3,(H,29,35)
InChIKeyWCMKYUBFKMSNTN-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.71
Rot. Bonds9

About 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one

3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 3203086) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID3203086
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CN(C3CCCC3)C(c3nnnn3Cc3ccccc3)C(C)C)cc2c1
InChIInChI=1S/C28H34N6O2/c1-19(2)26(27-30-31-32-34(27)17-20-9-5-4-6-10-20)33(23-11-7-8-12-23)18-22-15-21-16-24(36-3)13-14-25(21)29-28(22)35/h4-6,9-10,13-16,19,23,26H,7-8,11-12,17-18H2,1-3H3,(H,29,35)
InChIKeyWCMKYUBFKMSNTN-UHFFFAOYSA-N
XLogP4.71
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[cyclopentyl-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3199449
3-[[cyclohexyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3199471
3-[[cyclopentyl-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204709
3-[[[(1R)-1-(1-benzyltetrazol-5-yl)propyl]-cyclopentylamino]methyl]-6-methyl-1H-quinolin-2-one
CID 1438913
3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclohexylamino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204694
3-[[cyclohexyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 51668070
3-[[cyclopentyl-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3199665
3-[[cyclopentyl-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204427
3-[[cyclopentyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 4171458
6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3203111
3-[[(1-benzyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1171547
7-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1438961

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one (CID 3203086) is 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CN(C3CCCC3)C(c3nnnn3Cc3ccccc3)C(C)C)cc2c1.
What is the InChIKey of 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is WCMKYUBFKMSNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-19(2)26(27-30-31-32-34(27)17-20-9-5-4-6-10-20)33(23-11-7-8-12-23)18-22-15-21-16-24(36-3)13-14-25(21)29-28(22)35/h4-6,9-10,13-16,19,23,26H,7-8,11-12,17-18H2,1-3H3,(H,29,35).
What are the key properties of 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one?
3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 486.62 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 3203086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).