N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

C22H24FN3O2 — CID 60548669

IUPACN-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESCC(C(=O)NC1CC1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C22H24FN3O2/c1-14(21(27)24-17-11-12-17)26-13-3-4-18-19(5-2-6-20(18)26)25-22(28)15-7-9-16(23)10-8-15/h2,5-10,14,17H,3-4,11-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyPYISQCJDBQBJCY-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.50
Rot. Bonds5

About N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (PubChem CID 60548669) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
PubChem CID60548669
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESCC(C(=O)NC1CC1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C22H24FN3O2/c1-14(21(27)24-17-11-12-17)26-13-3-4-18-19(5-2-6-20(18)26)25-22(28)15-7-9-16(23)10-8-15/h2,5-10,14,17H,3-4,11-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyPYISQCJDBQBJCY-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (CID 60548669) is N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is CC(C(=O)NC1CC1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21.
What is the InChIKey of N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The InChIKey is PYISQCJDBQBJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-14(21(27)24-17-11-12-17)26-13-3-4-18-19(5-2-6-20(18)26)25-22(28)15-7-9-16(23)10-8-15/h2,5-10,14,17H,3-4,11-13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide has a molecular weight of 381.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 60548669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).