N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine

C19H20N4O — CID 58285180

IUPACN-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
SMILESc1ccc2cc(Nc3cc(CN4CCOCC4)ccn3)ncc2c1
InChIInChI=1S/C19H20N4O/c1-2-4-17-13-21-19(12-16(17)3-1)22-18-11-15(5-6-20-18)14-23-7-9-24-10-8-23/h1-6,11-13H,7-10,14H2,(H,20,21,22)
InChIKeyBTUVEVUFZPTOQU-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.21
Rot. Bonds4

About N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine

N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine (PubChem CID 58285180) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
PubChem CID58285180
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
SMILESc1ccc2cc(Nc3cc(CN4CCOCC4)ccn3)ncc2c1
InChIInChI=1S/C19H20N4O/c1-2-4-17-13-21-19(12-16(17)3-1)22-18-11-15(5-6-20-18)14-23-7-9-24-10-8-23/h1-6,11-13H,7-10,14H2,(H,20,21,22)
InChIKeyBTUVEVUFZPTOQU-UHFFFAOYSA-N
XLogP3.21
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-chloro-4-(morpholin-4-ylmethyl)pyridin-2-amine
CID 87380885
4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 55139785
[4-(morpholin-4-ylmethyl)-2-pyridinyl]methanol
CID 18799862
4-[(2-tert-butyl-4-pyridinyl)methyl]morpholine
CID 58209224
ethane;1-[4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropan-1-amine
CID 143812046
7-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
CID 73426390
6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
CID 163265443
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 51122755
6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773215
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
CID 75469956
N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773217
N-ethyl-5-(morpholin-4-ylmethyl)pyridin-2-amine
CID 62177527

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine (CID 58285180) is N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine is c1ccc2cc(Nc3cc(CN4CCOCC4)ccn3)ncc2c1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine?
The InChIKey is BTUVEVUFZPTOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-4-17-13-21-19(12-16(17)3-1)22-18-11-15(5-6-20-18)14-23-7-9-24-10-8-23/h1-6,11-13H,7-10,14H2,(H,20,21,22).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine?
N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine has a molecular weight of 320.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine is sourced from PubChem (CID 58285180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).