6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one

C25H30N8O2 — CID 644823

IUPAC6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3CCN3CCOCC3)cc2c1
InChIInChI=1S/C25H30N8O2/c1-19-4-5-23-21(13-19)14-22(25(34)27-23)17-32(16-20-3-2-6-26-15-20)18-24-28-29-30-33(24)8-7-31-9-11-35-12-10-31/h2-6,13-15H,7-12,16-18H2,1H3,(H,27,34)
InChIKeySAQUMJLMRFXERW-UHFFFAOYSA-N
MW474.57 g/mol
LogP1.75
Rot. Bonds9

About 6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one

6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 644823) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID644823
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3CCN3CCOCC3)cc2c1
InChIInChI=1S/C25H30N8O2/c1-19-4-5-23-21(13-19)14-22(25(34)27-23)17-32(16-20-3-2-6-26-15-20)18-24-28-29-30-33(24)8-7-31-9-11-35-12-10-31/h2-6,13-15H,7-12,16-18H2,1H3,(H,27,34)
InChIKeySAQUMJLMRFXERW-UHFFFAOYSA-N
XLogP1.75
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 644823) is 6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3CCN3CCOCC3)cc2c1.
What is the InChIKey of 6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is SAQUMJLMRFXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-19-4-5-23-21(13-19)14-22(25(34)27-23)17-32(16-20-3-2-6-26-15-20)18-24-28-29-30-33(24)8-7-31-9-11-35-12-10-31/h2-6,13-15H,7-12,16-18H2,1H3,(H,27,34).
What are the key properties of 6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 474.57 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 644823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).