N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide

C21H32N2O — CID 16837145

IUPACN-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide
SMILESCCCN1CCCc2cc(CCNC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C21H32N2O/c1-2-14-23-15-6-9-19-16-17(10-11-20(19)23)12-13-22-21(24)18-7-4-3-5-8-18/h10-11,16,18H,2-9,12-15H2,1H3,(H,22,24)
InChIKeyUVNOISAKHWEPPJ-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide

N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide (PubChem CID 16837145) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide
PubChem CID16837145
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC NameN-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide
SMILESCCCN1CCCc2cc(CCNC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C21H32N2O/c1-2-14-23-15-6-9-19-16-17(10-11-20(19)23)12-13-22-21(24)18-7-4-3-5-8-18/h10-11,16,18H,2-9,12-15H2,1H3,(H,22,24)
InChIKeyUVNOISAKHWEPPJ-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide (CID 16837145) is N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide is CCCN1CCCc2cc(CCNC(=O)C3CCCCC3)ccc21.
What is the InChIKey of N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is UVNOISAKHWEPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-14-23-15-6-9-19-16-17(10-11-20(19)23)12-13-22-21(24)18-7-4-3-5-8-18/h10-11,16,18H,2-9,12-15H2,1H3,(H,22,24).
What are the key properties of N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide?
N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 328.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16837145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).