3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one

C29H36N6O — CID 3199235

IUPAC3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(C3CCCC3)C(CC)c3nnnn3CCc3ccccc3)cc2c1
InChIInChI=1S/C29H36N6O/c1-3-21-14-15-26-23(18-21)19-24(29(36)30-26)20-34(25-12-8-9-13-25)27(4-2)28-31-32-33-35(28)17-16-22-10-6-5-7-11-22/h5-7,10-11,14-15,18-19,25,27H,3-4,8-9,12-13,16-17,20H2,1-2H3,(H,30,36)
InChIKeyPQWPMNYTVWJBAI-UHFFFAOYSA-N
MW484.65 g/mol
LogP5.22
Rot. Bonds10

About 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one

3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one (PubChem CID 3199235) has the molecular formula C29H36N6O and a molecular weight of 484.65 g/mol. Its IUPAC name is 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
PubChem CID3199235
Molecular FormulaC29H36N6O
Molecular Weight484.65 g/mol
Exact Mass484.30
IUPAC Name3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(C3CCCC3)C(CC)c3nnnn3CCc3ccccc3)cc2c1
InChIInChI=1S/C29H36N6O/c1-3-21-14-15-26-23(18-21)19-24(29(36)30-26)20-34(25-12-8-9-13-25)27(4-2)28-31-32-33-35(28)17-16-22-10-6-5-7-11-22/h5-7,10-11,14-15,18-19,25,27H,3-4,8-9,12-13,16-17,20H2,1-2H3,(H,30,36)
InChIKeyPQWPMNYTVWJBAI-UHFFFAOYSA-N
XLogP5.22
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.65
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204690
3-[[cyclohexyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3199471
3-[[cyclohexyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204150
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
7-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1438961
3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204104
3-[[benzyl-[1-(1-benzyltetrazol-5-yl)propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 3199192
3-[[cyclopentyl-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3199449
3-[[cyclopentyl-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204709
3-[[1-(1-cyclohexyltetrazol-5-yl)butyl-cyclopentylamino]methyl]-6-ethyl-1H-quinolin-2-one
CID 3203460
3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204662

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one (CID 3199235) is 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(C3CCCC3)C(CC)c3nnnn3CCc3ccccc3)cc2c1.
What is the InChIKey of 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one?
The InChIKey is PQWPMNYTVWJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O/c1-3-21-14-15-26-23(18-21)19-24(29(36)30-26)20-34(25-12-8-9-13-25)27(4-2)28-31-32-33-35(28)17-16-22-10-6-5-7-11-22/h5-7,10-11,14-15,18-19,25,27H,3-4,8-9,12-13,16-17,20H2,1-2H3,(H,30,36).
What are the key properties of 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one?
3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one has a molecular weight of 484.65 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 3199235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).