N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide

C16H19FN2O — CID 110486620

IUPACN-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide
SMILESCCC(C)NC(=O)CCc1ccc2ccc(F)cc2n1
InChIInChI=1S/C16H19FN2O/c1-3-11(2)18-16(20)9-8-14-7-5-12-4-6-13(17)10-15(12)19-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyPVCDSEBILGNVAW-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.22
Rot. Bonds5

About N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide

N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide (PubChem CID 110486620) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide
PubChem CID110486620
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide
SMILESCCC(C)NC(=O)CCc1ccc2ccc(F)cc2n1
InChIInChI=1S/C16H19FN2O/c1-3-11(2)18-16(20)9-8-14-7-5-12-4-6-13(17)10-15(12)19-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyPVCDSEBILGNVAW-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide (CID 110486620) is N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide is CCC(C)NC(=O)CCc1ccc2ccc(F)cc2n1.
What is the InChIKey of N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide?
The InChIKey is PVCDSEBILGNVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-11(2)18-16(20)9-8-14-7-5-12-4-6-13(17)10-15(12)19-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide?
N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide has a molecular weight of 274.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide is sourced from PubChem (CID 110486620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).