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

C18H28N2O — CID 16837134

IUPACN-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc2c(c1)CCCN2CCC
InChIInChI=1S/C18H28N2O/c1-3-6-18(21)19-11-10-15-8-9-17-16(14-15)7-5-13-20(17)12-4-2/h8-9,14H,3-7,10-13H2,1-2H3,(H,19,21)
InChIKeyOZFGTTOIBMQCQW-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.31
Rot. Bonds7

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

N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide (PubChem CID 16837134) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide
PubChem CID16837134
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc2c(c1)CCCN2CCC
InChIInChI=1S/C18H28N2O/c1-3-6-18(21)19-11-10-15-8-9-17-16(14-15)7-5-13-20(17)12-4-2/h8-9,14H,3-7,10-13H2,1-2H3,(H,19,21)
InChIKeyOZFGTTOIBMQCQW-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.31
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]butanamide?
The IUPAC name of N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide (CID 16837134) is N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide is CCCC(=O)NCCc1ccc2c(c1)CCCN2CCC.
What is the InChIKey of N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide?
The InChIKey is OZFGTTOIBMQCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-6-18(21)19-11-10-15-8-9-17-16(14-15)7-5-13-20(17)12-4-2/h8-9,14H,3-7,10-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide?
N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide has a molecular weight of 288.44 g/mol, XLogP of 3.31, 7 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]butanamide is sourced from PubChem (CID 16837134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).