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

C24H32N6O3 — CID 653415

IUPACethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C24H32N6O3/c1-4-21(23-26-27-28-30(23)15-22(31)33-5-2)29(19-8-6-7-9-19)14-18-13-17-11-10-16(3)12-20(17)25-24(18)32/h10-13,19,21H,4-9,14-15H2,1-3H3,(H,25,32)
InChIKeyCNYFKFTZWGUOGR-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.28
Rot. Bonds9

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

ethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate (PubChem CID 653415) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is ethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
PubChem CID653415
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Nameethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C24H32N6O3/c1-4-21(23-26-27-28-30(23)15-22(31)33-5-2)29(19-8-6-7-9-19)14-18-13-17-11-10-16(3)12-20(17)25-24(18)32/h10-13,19,21H,4-9,14-15H2,1-3H3,(H,25,32)
InChIKeyCNYFKFTZWGUOGR-UHFFFAOYSA-N
XLogP3.28
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

(5-{1-[Cyclopentyl-(5,7-dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amino]-2-methyl-propyl}-tetrazol-1-yl)-acetic acid ethyl ester
CID 645800
3-{[(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 645885
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-morpholin-4-yl-methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 646526
3-{[Cyclohexyl-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 647067
3-{[(1-Benzyl-1H-tetrazol-5-ylmethyl)-(2-hydroxy-ethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 648352
3-[[[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 649334
3-{Azepan-1-yl-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-6-methyl-1H-quinolin-2-one
CID 649785
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(7,8-dimethyl-2-oxo-1,2-dihydro-quinolin-3-yl)-methyl]-piperidine-4-carboxylic acid ethyl ester
CID 649898
3-{[(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-7-methyl-1H-quinolin-2-one
CID 650094
3-{[(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-(3-morpholin-4-yl-propyl)-amino]-methyl}-8-methyl-1H-quinolin-2-one
CID 650537
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-7-methyl-1H-quinolin-2-one
CID 650853
3-{Azepan-1-yl-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 652329

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate (CID 653415) is ethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1.
What is the InChIKey of ethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate?
The InChIKey is CNYFKFTZWGUOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-4-21(23-26-27-28-30(23)15-22(31)33-5-2)29(19-8-6-7-9-19)14-18-13-17-11-10-16(3)12-20(17)25-24(18)32/h10-13,19,21H,4-9,14-15H2,1-3H3,(H,25,32).
What are the key properties of ethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate?
ethyl 2-[5-[1-[cyclopentyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate has a molecular weight of 452.56 g/mol, XLogP of 3.28, 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-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 653415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).