2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone

C20H30N2O — CID 1459384

IUPAC2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
SMILESC[C@@H]1CC(C)(C)N(C(=O)CNC2CCCCC2)c2ccccc21
InChIInChI=1S/C20H30N2O/c1-15-13-20(2,3)22(18-12-8-7-11-17(15)18)19(23)14-21-16-9-5-4-6-10-16/h7-8,11-12,15-16,21H,4-6,9-10,13-14H2,1-3H3/t15-/m1/s1
InChIKeyYCRBHPGAWASVTC-OAHLLOKOSA-N
MW314.47 g/mol
LogP4.23
Rot. Bonds3

About 2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone

2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone (PubChem CID 1459384) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
PubChem CID1459384
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
SMILESC[C@@H]1CC(C)(C)N(C(=O)CNC2CCCCC2)c2ccccc21
InChIInChI=1S/C20H30N2O/c1-15-13-20(2,3)22(18-12-8-7-11-17(15)18)19(23)14-21-16-9-5-4-6-10-16/h7-8,11-12,15-16,21H,4-6,9-10,13-14H2,1-3H3/t15-/m1/s1
InChIKeyYCRBHPGAWASVTC-OAHLLOKOSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone (CID 1459384) is 2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone is C[C@@H]1CC(C)(C)N(C(=O)CNC2CCCCC2)c2ccccc21.
What is the InChIKey of 2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
The InChIKey is YCRBHPGAWASVTC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N2O/c1-15-13-20(2,3)22(18-12-8-7-11-17(15)18)19(23)14-21-16-9-5-4-6-10-16/h7-8,11-12,15-16,21H,4-6,9-10,13-14H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone has a molecular weight of 314.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone is sourced from PubChem (CID 1459384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).