3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one

C27H32N6O — CID 3204662

IUPAC3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCCC(c1nnnn1Cc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1
InChIInChI=1S/C27H32N6O/c1-3-24(26-29-30-31-33(26)17-20-11-5-4-6-12-20)32(23-14-7-8-15-23)18-22-16-21-13-9-10-19(2)25(21)28-27(22)34/h4-6,9-13,16,23-24H,3,7-8,14-15,17-18H2,1-2H3,(H,28,34)
InChIKeyRRTRYDGLDLUVMG-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.77
Rot. Bonds8

About 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one

3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 3204662) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one
PubChem CID3204662
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCCC(c1nnnn1Cc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1
InChIInChI=1S/C27H32N6O/c1-3-24(26-29-30-31-33(26)17-20-11-5-4-6-12-20)32(23-14-7-8-15-23)18-22-16-21-13-9-10-19(2)25(21)28-27(22)34/h4-6,9-13,16,23-24H,3,7-8,14-15,17-18H2,1-2H3,(H,28,34)
InChIKeyRRTRYDGLDLUVMG-UHFFFAOYSA-N
XLogP4.77
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[cyclopentyl-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1438884
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-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204674
3-[[cyclopentyl-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3200016
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]propyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204690
3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204104
3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-(2-phenylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3201154
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-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 3199235
3-[[cyclopentyl-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3199449

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one (CID 3204662) is 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one is CCC(c1nnnn1Cc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1.
What is the InChIKey of 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is RRTRYDGLDLUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c1-3-24(26-29-30-31-33(26)17-20-11-5-4-6-12-20)32(23-14-7-8-15-23)18-22-16-21-13-9-10-19(2)25(21)28-27(22)34/h4-6,9-13,16,23-24H,3,7-8,14-15,17-18H2,1-2H3,(H,28,34).
What are the key properties of 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one?
3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 456.59 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3204662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).