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

C20H24N2O4 — CID 122235215

IUPACpropan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3ccco3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
InChIKeyOZBRAEGGHPSXJE-SUMWQHHRSA-N
MW356.42 g/mol
LogP4.27
Rot. Bonds3

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

propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 122235215) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID122235215
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3ccco3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
InChIKeyOZBRAEGGHPSXJE-SUMWQHHRSA-N
XLogP4.27
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 122235215) is propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-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-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(-c3ccco3)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-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is OZBRAEGGHPSXJE-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1.
What are the key properties of propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 122235215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).