(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine

C24H23N3O — CID 10067687

IUPAC(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C[C@H](N)COc2cncc(-c3ccc4cnccc4c3)c2)cc1
InChIInChI=1S/C24H23N3O/c1-17-2-4-18(5-3-17)10-23(25)16-28-24-12-22(14-27-15-24)19-6-7-21-13-26-9-8-20(21)11-19/h2-9,11-15,23H,10,16,25H2,1H3/t23-/m0/s1
InChIKeyHFEFVDMOONDZON-QHCPKHFHSA-N
MW369.47 g/mol
LogP4.55
Rot. Bonds6

About (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine

(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine (PubChem CID 10067687) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine
PubChem CID10067687
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C[C@H](N)COc2cncc(-c3ccc4cnccc4c3)c2)cc1
InChIInChI=1S/C24H23N3O/c1-17-2-4-18(5-3-17)10-23(25)16-28-24-12-22(14-27-15-24)19-6-7-21-13-26-9-8-20(21)11-19/h2-9,11-15,23H,10,16,25H2,1H3/t23-/m0/s1
InChIKeyHFEFVDMOONDZON-QHCPKHFHSA-N
XLogP4.55
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine (CID 10067687) is (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine is Cc1ccc(C[C@H](N)COc2cncc(-c3ccc4cnccc4c3)c2)cc1.
What is the InChIKey of (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine?
The InChIKey is HFEFVDMOONDZON-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17-2-4-18(5-3-17)10-23(25)16-28-24-12-22(14-27-15-24)19-6-7-21-13-26-9-8-20(21)11-19/h2-9,11-15,23H,10,16,25H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine?
(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine has a molecular weight of 369.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 10067687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).