propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

C16H21FN2O3 — CID 169234610

IUPACpropan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(F)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C16H21FN2O3/c1-9(2)22-16(21)18-14-7-10(3)19(11(4)20)15-6-5-12(17)8-13(14)15/h5-6,8-10,14H,7H2,1-4H3,(H,18,21)/t10-,14+/m0/s1
InChIKeyQQUNZFDQEKXUOV-IINYFYTJSA-N
MW308.35 g/mol
LogP3.15
Rot. Bonds2

About propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 169234610) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID169234610
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(F)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C16H21FN2O3/c1-9(2)22-16(21)18-14-7-10(3)19(11(4)20)15-6-5-12(17)8-13(14)15/h5-6,8-10,14H,7H2,1-4H3,(H,18,21)/t10-,14+/m0/s1
InChIKeyQQUNZFDQEKXUOV-IINYFYTJSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 169234610) is propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(F)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C.
What is the InChIKey of propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is QQUNZFDQEKXUOV-IINYFYTJSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-9(2)22-16(21)18-14-7-10(3)19(11(4)20)15-6-5-12(17)8-13(14)15/h5-6,8-10,14H,7H2,1-4H3,(H,18,21)/t10-,14+/m0/s1.
What are the key properties of propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 308.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S,4R)-1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 169234610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).