3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

C24H33N7O2 — CID 4072418

IUPAC3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN(CCN3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c12
InChIInChI=1S/C24H33N7O2/c1-18-5-4-6-19-15-20(24(32)25-23(18)19)16-30(10-9-29-11-13-33-14-12-29)17-22-26-27-28-31(22)21-7-2-3-8-21/h4-6,15,21H,2-3,7-14,16-17H2,1H3,(H,25,32)
InChIKeyQCTOKVZEWHDISA-UHFFFAOYSA-N
MW451.58 g/mol
LogP2.27
Rot. Bonds8

About 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 4072418) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
PubChem CID4072418
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC Name3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN(CCN3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c12
InChIInChI=1S/C24H33N7O2/c1-18-5-4-6-19-15-20(24(32)25-23(18)19)16-30(10-9-29-11-13-33-14-12-29)17-22-26-27-28-31(22)21-7-2-3-8-21/h4-6,15,21H,2-3,7-14,16-17H2,1H3,(H,25,32)
InChIKeyQCTOKVZEWHDISA-UHFFFAOYSA-N
XLogP2.27
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[(1-tert-butyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170864
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204405
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170879
3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170927
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171711
7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 3186251
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1171093
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200443
3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204658
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1171210
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1170993
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 1138169

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one (CID 4072418) is 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(CN(CCN3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c12.
What is the InChIKey of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is QCTOKVZEWHDISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-18-5-4-6-19-15-20(24(32)25-23(18)19)16-30(10-9-29-11-13-33-14-12-29)17-22-26-27-28-31(22)21-7-2-3-8-21/h4-6,15,21H,2-3,7-14,16-17H2,1H3,(H,25,32).
What are the key properties of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 451.58 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 4072418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).