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

C27H33N7O2 — CID 1170927

IUPAC3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C27H33N7O2/c1-21-7-5-10-23-17-24(27(35)28-26(21)23)19-33(12-6-11-32-13-15-36-16-14-32)20-25-29-30-31-34(25)18-22-8-3-2-4-9-22/h2-5,7-10,17H,6,11-16,18-20H2,1H3,(H,28,35)
InChIKeyHLALRZXZIFOCCB-UHFFFAOYSA-N
MW487.61 g/mol
LogP2.60
Rot. Bonds10

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

3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 1170927) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one
PubChem CID1170927
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C27H33N7O2/c1-21-7-5-10-23-17-24(27(35)28-26(21)23)19-33(12-6-11-32-13-15-36-16-14-32)20-25-29-30-31-34(25)18-22-8-3-2-4-9-22/h2-5,7-10,17H,6,11-16,18-20H2,1H3,(H,28,35)
InChIKeyHLALRZXZIFOCCB-UHFFFAOYSA-N
XLogP2.60
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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-[[(1-tert-butyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170864
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 4072418
3-[[3-hydroxypropyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 23800698
3-[[(1-benzyltetrazol-5-yl)methyl-(2-hydroxyethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1464227
3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3200499
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-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1463929
3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 3169853
3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200468
3-[[benzyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1171040
3-[[benzyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1463857

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one (CID 1170927) is 3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c12.
What is the InChIKey of 3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is HLALRZXZIFOCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-21-7-5-10-23-17-24(27(35)28-26(21)23)19-33(12-6-11-32-13-15-36-16-14-32)20-25-29-30-31-34(25)18-22-8-3-2-4-9-22/h2-5,7-10,17H,6,11-16,18-20H2,1H3,(H,28,35).
What are the key properties of 3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 487.61 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 1170927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).