1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine

C15H21N3O — CID 63587341

IUPAC1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)Cc1cnnc2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-8-16-13(11-19-2)9-12-10-17-18-15-7-5-4-6-14(12)15/h4-7,10,13,16H,3,8-9,11H2,1-2H3
InChIKeyAVMDOWUYHLFQMH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.19
Rot. Bonds7

About 1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine

1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine (PubChem CID 63587341) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine
PubChem CID63587341
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)Cc1cnnc2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-8-16-13(11-19-2)9-12-10-17-18-15-7-5-4-6-14(12)15/h4-7,10,13,16H,3,8-9,11H2,1-2H3
InChIKeyAVMDOWUYHLFQMH-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-naphthalen-1-yl-N-propylpropan-2-amine
CID 55095273
1-cinnolin-4-yl-N-ethylpropan-2-amine
CID 63586050
4-ethylcinnoline
CID 54530021
1-(2-methylquinolin-4-yl)-N-propylbutan-2-amine
CID 55162398
1-methoxy-N-propyl-3-pyrimidin-4-ylpropan-2-amine
CID 63197559
1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine
CID 79093124
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63352621
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63350551
4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
CID 105159278
N-(4-methoxybutan-2-yl)cinnolin-4-amine
CID 64605696
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine
CID 107506613

Frequently Asked Questions

What is the IUPAC name of 1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine?
The IUPAC name of 1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine (CID 63587341) is 1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine is CCCNC(COC)Cc1cnnc2ccccc12.
What is the InChIKey of 1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine?
The InChIKey is AVMDOWUYHLFQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-8-16-13(11-19-2)9-12-10-17-18-15-7-5-4-6-14(12)15/h4-7,10,13,16H,3,8-9,11H2,1-2H3.
What are the key properties of 1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine?
1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine is sourced from PubChem (CID 63587341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).