N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide

C18H26N2O2 — CID 7517441

IUPACN-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2
InChIInChI=1S/C18H26N2O2/c1-4-5-8-17(21)19-15-10-9-14-7-6-11-20(16(14)12-15)18(22)13(2)3/h9-10,12-13H,4-8,11H2,1-3H3,(H,19,21)
InChIKeySIEJTZJQLXCZMF-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.75
Rot. Bonds5

About N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide

N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide (PubChem CID 7517441) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide
PubChem CID7517441
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2
InChIInChI=1S/C18H26N2O2/c1-4-5-8-17(21)19-15-10-9-14-7-6-11-20(16(14)12-15)18(22)13(2)3/h9-10,12-13H,4-8,11H2,1-3H3,(H,19,21)
InChIKeySIEJTZJQLXCZMF-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide?
The IUPAC name of N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide (CID 7517441) is N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide is CCCCC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2.
What is the InChIKey of N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide?
The InChIKey is SIEJTZJQLXCZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-5-8-17(21)19-15-10-9-14-7-6-11-20(16(14)12-15)18(22)13(2)3/h9-10,12-13H,4-8,11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide?
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide has a molecular weight of 302.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]pentanamide is sourced from PubChem (CID 7517441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).