ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate

C25H34N6O3 — CID 3199766

IUPACethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C25H34N6O3/c1-5-22(24-27-28-29-31(24)15-23(32)34-6-2)30(20-9-7-8-10-20)14-19-13-18-11-16(3)17(4)12-21(18)26-25(19)33/h11-13,20,22H,5-10,14-15H2,1-4H3,(H,26,33)
InChIKeyRUOGBKKPKMPBLT-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.59
Rot. Bonds9

About ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate

ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate (PubChem CID 3199766) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
PubChem CID3199766
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Nameethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C25H34N6O3/c1-5-22(24-27-28-29-31(24)15-23(32)34-6-2)30(20-9-7-8-10-20)14-19-13-18-11-16(3)17(4)12-21(18)26-25(19)33/h11-13,20,22H,5-10,14-15H2,1-4H3,(H,26,33)
InChIKeyRUOGBKKPKMPBLT-UHFFFAOYSA-N
XLogP3.59
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-[5-[(1R)-1-[cyclohexyl-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 1464875
ethyl 2-[5-[1-[cyclohexyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]butyl]tetrazol-1-yl]acetate
CID 3203496
3-[[cyclopentyl-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3199665
3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 51668136
ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate
CID 3201051
3-[[cyclopentyl-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 7382687
ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate
CID 124899507
ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylphenyl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 3200844
3-[[[(1R)-1-(1-benzyltetrazol-5-yl)propyl]-cyclopentylamino]methyl]-6-methyl-1H-quinolin-2-one
CID 1438913
3-[[cyclopentyl-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3199282
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate (CID 3199766) is ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1.
What is the InChIKey of ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate?
The InChIKey is RUOGBKKPKMPBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-5-22(24-27-28-29-31(24)15-23(32)34-6-2)30(20-9-7-8-10-20)14-19-13-18-11-16(3)17(4)12-21(18)26-25(19)33/h11-13,20,22H,5-10,14-15H2,1-4H3,(H,26,33).
What are the key properties of ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate?
ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate has a molecular weight of 466.59 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 3199766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).