N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide

C16H22N2O2 — CID 16835075

IUPACN-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)N(C(=O)CC)CCC2
InChIInChI=1S/C16H22N2O2/c1-3-6-15(19)17-13-9-8-12-7-5-10-18(14(12)11-13)16(20)4-2/h8-9,11H,3-7,10H2,1-2H3,(H,17,19)
InChIKeyTUUSXBIFJQDURK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.11
Rot. Bonds4

About N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide

N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide (PubChem CID 16835075) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide.

Molecular Properties

Compound NameN-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
PubChem CID16835075
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)N(C(=O)CC)CCC2
InChIInChI=1S/C16H22N2O2/c1-3-6-15(19)17-13-9-8-12-7-5-10-18(14(12)11-13)16(20)4-2/h8-9,11H,3-7,10H2,1-2H3,(H,17,19)
InChIKeyTUUSXBIFJQDURK-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide?
The IUPAC name of N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide (CID 16835075) is N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide.
What is the SMILES notation for N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide?
The canonical SMILES for N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide is CCCC(=O)Nc1ccc2c(c1)N(C(=O)CC)CCC2.
What is the InChIKey of N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide?
The InChIKey is TUUSXBIFJQDURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-6-15(19)17-13-9-8-12-7-5-10-18(14(12)11-13)16(20)4-2/h8-9,11H,3-7,10H2,1-2H3,(H,17,19).
What are the key properties of N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide?
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide has a molecular weight of 274.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide is sourced from PubChem (CID 16835075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).