3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide

C26H31N3O2 — CID 118970656

IUPAC3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide
SMILESCOc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCC3CCCCC3)cc2c1
InChIInChI=1S/C26H31N3O2/c1-31-24-10-6-5-9-22(24)19-11-13-23-21(15-19)16-20(26(27)29-23)12-14-25(30)28-17-18-7-3-2-4-8-18/h5-6,9-11,13,15-16,18H,2-4,7-8,12,14,17H2,1H3,(H2,27,29)(H,28,30)
InChIKeyLLOBZEJFRNFWJK-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.12
Rot. Bonds7

About 3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide

3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide (PubChem CID 118970656) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide
PubChem CID118970656
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide
SMILESCOc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCC3CCCCC3)cc2c1
InChIInChI=1S/C26H31N3O2/c1-31-24-10-6-5-9-22(24)19-11-13-23-21(15-19)16-20(26(27)29-23)12-14-25(30)28-17-18-7-3-2-4-8-18/h5-6,9-11,13,15-16,18H,2-4,7-8,12,14,17H2,1H3,(H2,27,29)(H,28,30)
InChIKeyLLOBZEJFRNFWJK-UHFFFAOYSA-N
XLogP5.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide (CID 118970656) is 3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide is COc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCC3CCCCC3)cc2c1.
What is the InChIKey of 3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide?
The InChIKey is LLOBZEJFRNFWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-31-24-10-6-5-9-22(24)19-11-13-23-21(15-19)16-20(26(27)29-23)12-14-25(30)28-17-18-7-3-2-4-8-18/h5-6,9-11,13,15-16,18H,2-4,7-8,12,14,17H2,1H3,(H2,27,29)(H,28,30).
What are the key properties of 3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide?
3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide has a molecular weight of 417.55 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 118970656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).