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RTN

C25H29N3O — CID 53236890

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29)
InChIKeyJBOWUKRDBGMOJZ-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.17
Rot. Bonds5

About RTN

RTN (PubChem CID 53236890) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide.

Molecular Properties

Compound NameRTN
PubChem CID53236890
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29)
InChIKeyJBOWUKRDBGMOJZ-UHFFFAOYSA-N
XLogP5.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of RTN?
The IUPAC name of RTN (CID 53236890) is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide.
What is the SMILES notation for RTN?
The canonical SMILES for RTN is Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCCCC3)cc2c1.
What is the InChIKey of RTN?
The InChIKey is JBOWUKRDBGMOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29).
What are the key properties of RTN?
RTN has a molecular weight of 387.53 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for RTN is sourced from PubChem (CID 53236890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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