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

C21H24N2O5 — CID 86669230

IUPACpropan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3cc(C=O)co3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C21H24N2O5/c1-12(2)28-21(26)22-18-7-13(3)23(14(4)25)19-6-5-16(9-17(18)19)20-8-15(10-24)11-27-20/h5-6,8-13,18H,7H2,1-4H3,(H,22,26)/t13-,18+/m0/s1
InChIKeyLMVVARZNBSVJIE-SCLBCKFNSA-N
MW384.43 g/mol
LogP4.08
Rot. Bonds4

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

propan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 86669230) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is propan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID86669230
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3cc(C=O)co3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C21H24N2O5/c1-12(2)28-21(26)22-18-7-13(3)23(14(4)25)19-6-5-16(9-17(18)19)20-8-15(10-24)11-27-20/h5-6,8-13,18H,7H2,1-4H3,(H,22,26)/t13-,18+/m0/s1
InChIKeyLMVVARZNBSVJIE-SCLBCKFNSA-N
XLogP4.08
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[(2R,4S)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 52935882
sodium 2-[(2R,4S)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]furan-3-carboxylate
CID 67194734
propan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141885
propan-2-yl N-[1-acetyl-6-[4-(hydroxymethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 77420025
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-thiophen-3-yl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141504
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141767
propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 123333686
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 52935022
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-[6-(methylamino)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
CID 140591791
propan-2-yl N-[1-acetyl-6-[1-(2-aminoethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 75964764
propan-2-yl N-[(2S,4R)-1-acetyl-6-[3-(cyclopropanecarbonylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141810
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
CID 52935667

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-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-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 86669230) is propan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-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-(4-formylfuran-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-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(-c3cc(C=O)co3)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-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is LMVVARZNBSVJIE-SCLBCKFNSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-12(2)28-21(26)22-18-7-13(3)23(14(4)25)19-6-5-16(9-17(18)19)20-8-15(10-24)11-27-20/h5-6,8-13,18H,7H2,1-4H3,(H,22,26)/t13-,18+/m0/s1.
What are the key properties of propan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 384.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 86669230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).