6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one

C24H35N7O4 — CID 3213025

IUPAC6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3CCCN3CCOCC3)cc2c1
InChIInChI=1S/C24H35N7O4/c1-2-35-21-5-6-22-19(16-21)15-20(24(33)25-22)17-30(8-4-12-32)18-23-26-27-28-31(23)9-3-7-29-10-13-34-14-11-29/h5-6,15-16,32H,2-4,7-14,17-18H2,1H3,(H,25,33)
InChIKeyHFSDFLDSLKKJIC-UHFFFAOYSA-N
MW485.59 g/mol
LogP1.02
Rot. Bonds13

About 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one

6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 3213025) has the molecular formula C24H35N7O4 and a molecular weight of 485.59 g/mol. Its IUPAC name is 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID3213025
Molecular FormulaC24H35N7O4
Molecular Weight485.59 g/mol
Exact Mass485.28
IUPAC Name6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3CCCN3CCOCC3)cc2c1
InChIInChI=1S/C24H35N7O4/c1-2-35-21-5-6-22-19(16-21)15-20(24(33)25-22)17-30(8-4-12-32)18-23-26-27-28-31(23)9-3-7-29-10-13-34-14-11-29/h5-6,15-16,32H,2-4,7-14,17-18H2,1H3,(H,25,33)
InChIKeyHFSDFLDSLKKJIC-UHFFFAOYSA-N
XLogP1.02
TPSA121.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171711
6-ethoxy-3-[[2-hydroxyethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 3200346
6-ethoxy-3-[[2-phenylethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 3200642
6-ethoxy-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870835
ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 3200389
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)thiourea
CID 1137331
6-ethoxy-3-[[[(2S)-oxolan-2-yl]methyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 28643489
6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
CID 3199054
3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1171051
3-[[benzyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171732
6-ethoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 1073177
3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 51625457

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one (CID 3213025) is 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3CCCN3CCOCC3)cc2c1.
What is the InChIKey of 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is HFSDFLDSLKKJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O4/c1-2-35-21-5-6-22-19(16-21)15-20(24(33)25-22)17-30(8-4-12-32)18-23-26-27-28-31(23)9-3-7-29-10-13-34-14-11-29/h5-6,15-16,32H,2-4,7-14,17-18H2,1H3,(H,25,33).
What are the key properties of 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 485.59 g/mol, XLogP of 1.02, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[[3-hydroxypropyl-[[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3213025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).