3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one

C25H35N7O3 — CID 648737

IUPAC3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C25H35N7O3/c1-34-22-8-7-19-15-20(25(33)26-23(19)16-22)17-31(10-4-9-30-11-13-35-14-12-30)18-24-27-28-29-32(24)21-5-2-3-6-21/h7-8,15-16,21H,2-6,9-14,17-18H2,1H3,(H,26,33)
InChIKeyGBEGRHZKIOTUJG-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.36
Rot. Bonds10

About 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one

3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 648737) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID648737
Molecular FormulaC25H35N7O3
Molecular Weight481.60 g/mol
Exact Mass481.28
IUPAC Name3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C25H35N7O3/c1-34-22-8-7-19-15-20(25(33)26-23(19)16-22)17-31(10-4-9-30-11-13-35-14-12-30)18-24-27-28-29-32(24)21-5-2-3-6-21/h7-8,15-16,21H,2-6,9-14,17-18H2,1H3,(H,26,33)
InChIKeyGBEGRHZKIOTUJG-UHFFFAOYSA-N
XLogP2.36
TPSA101.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one (CID 648737) is 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is GBEGRHZKIOTUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-34-22-8-7-19-15-20(25(33)26-23(19)16-22)17-31(10-4-9-30-11-13-35-14-12-30)18-24-27-28-29-32(24)21-5-2-3-6-21/h7-8,15-16,21H,2-6,9-14,17-18H2,1H3,(H,26,33).
What are the key properties of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 481.60 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 648737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).