(1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine

C20H27N3O — CID 70431403

IUPAC(1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine
SMILESC=CN1CCC(CC[C@H](N)c2ccnc3ccc(OC)cc23)CC1
InChIInChI=1S/C20H27N3O/c1-3-23-12-9-15(10-13-23)4-6-19(21)17-8-11-22-20-7-5-16(24-2)14-18(17)20/h3,5,7-8,11,14-15,19H,1,4,6,9-10,12-13,21H2,2H3/t19-/m0/s1
InChIKeyGONIUNJGWQVJNJ-IBGZPJMESA-N
MW325.46 g/mol
LogP3.88
Rot. Bonds6

About (1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine

(1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine (PubChem CID 70431403) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine
PubChem CID70431403
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine
SMILESC=CN1CCC(CC[C@H](N)c2ccnc3ccc(OC)cc23)CC1
InChIInChI=1S/C20H27N3O/c1-3-23-12-9-15(10-13-23)4-6-19(21)17-8-11-22-20-7-5-16(24-2)14-18(17)20/h3,5,7-8,11,14-15,19H,1,4,6,9-10,12-13,21H2,2H3/t19-/m0/s1
InChIKeyGONIUNJGWQVJNJ-IBGZPJMESA-N
XLogP3.88
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-3-[(3R,4S)-3-ethenyl-1-methylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol;dihydrochloride
CID 3068235
(S)-[(7R)-2-ethenyl-6-azatricyclo[4.2.0.01,3]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol
CID 139540590
4-[(S)-(5-ethenyl-2-methyl-1-azabicyclo[2.2.2]octan-2-yl)-methoxymethyl]-6-methoxyquinoline
CID 163523086
[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 16759993
(R)-[(2S,5R)-1-ethenyl-5-ethylindiginan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 162736979
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-(111C)methoxyquinolin-4-yl)methanol
CID 56643420
(R)-[(2S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 5484444
(R)-[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydroiodide
CID 69334291
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrobromide
CID 71719620
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate
CID 23624046
CID 135027532
CID 135027532
(3R,4S,6S)-3-ethenyl-6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
CID 13217485

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine?
The IUPAC name of (1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine (CID 70431403) is (1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine.
What is the SMILES notation for (1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine?
The canonical SMILES for (1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine is C=CN1CCC(CC[C@H](N)c2ccnc3ccc(OC)cc23)CC1.
What is the InChIKey of (1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine?
The InChIKey is GONIUNJGWQVJNJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-23-12-9-15(10-13-23)4-6-19(21)17-8-11-22-20-7-5-16(24-2)14-18(17)20/h3,5,7-8,11,14-15,19H,1,4,6,9-10,12-13,21H2,2H3/t19-/m0/s1.
What are the key properties of (1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine?
(1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine has a molecular weight of 325.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(1-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-amine is sourced from PubChem (CID 70431403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).