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

C23H28FN3O2 — CID 60548609

IUPACN-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESCC(C(=O)NC(C)(C)C)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C23H28FN3O2/c1-15(21(28)26-23(2,3)4)27-14-6-7-18-19(8-5-9-20(18)27)25-22(29)16-10-12-17(24)13-11-16/h5,8-13,15H,6-7,14H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyDPKMVRAHRFVKDW-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.13
Rot. Bonds4

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

N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (PubChem CID 60548609) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
PubChem CID60548609
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESCC(C(=O)NC(C)(C)C)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C23H28FN3O2/c1-15(21(28)26-23(2,3)4)27-14-6-7-18-19(8-5-9-20(18)27)25-22(29)16-10-12-17(24)13-11-16/h5,8-13,15H,6-7,14H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyDPKMVRAHRFVKDW-UHFFFAOYSA-N
XLogP4.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (CID 60548609) is N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is CC(C(=O)NC(C)(C)C)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21.
What is the InChIKey of N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The InChIKey is DPKMVRAHRFVKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-15(21(28)26-23(2,3)4)27-14-6-7-18-19(8-5-9-20(18)27)25-22(29)16-10-12-17(24)13-11-16/h5,8-13,15H,6-7,14H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide has a molecular weight of 397.49 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 60548609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).