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

C24H26N2O4 — CID 135141885

IUPACpropan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3coc4ccccc34)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C24H26N2O4/c1-14(2)30-24(28)25-21-11-15(3)26(16(4)27)22-10-9-17(12-19(21)22)20-13-29-23-8-6-5-7-18(20)23/h5-10,12-15,21H,11H2,1-4H3,(H,25,28)/t15-,21+/m0/s1
InChIKeyKQCRPZWHQCVIGK-YCRPNKLZSA-N
MW406.48 g/mol
LogP5.42
Rot. Bonds3

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

propan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 135141885) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is propan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID135141885
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3coc4ccccc34)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C24H26N2O4/c1-14(2)30-24(28)25-21-11-15(3)26(16(4)27)22-10-9-17(12-19(21)22)20-13-29-23-8-6-5-7-18(20)23/h5-10,12-15,21H,11H2,1-4H3,(H,25,28)/t15-,21+/m0/s1
InChIKeyKQCRPZWHQCVIGK-YCRPNKLZSA-N
XLogP5.42
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Propan-2-Yl ~{n}-[(2~{s},4~{r})-1-Ethanoyl-6-(Furan-2-Yl)-2-Methyl-3,4-Dihydro-2~{h}-Quinolin-4-Yl]carbamate
CID 122235215
(2S)-N-[(4R)-1-acetyl-6-(1-benzofuran-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide;2,2,2-trifluoroacetic acid
CID 155522548
(2S)-2-amino-N-[(4R)-6-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide;2,2,2-trifluoroacetic acid
CID 155545136
methyl N-[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamate
CID 17956992
propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141502
1-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 44278986
N-[[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]methyl]acetamide
CID 44279165
N-[[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 44279179
1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 44279348
1-[1-[2-(1-acetylpiperidin-3-yl)-1-benzofuran-5-carbonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 44279485
2-acetamido-N-[[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]methyl]acetamide
CID 44279692
N-[2-[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 44280013

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of 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) is propan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-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-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(-c3coc4ccccc34)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-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is KQCRPZWHQCVIGK-YCRPNKLZSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-14(2)30-24(28)25-21-11-15(3)26(16(4)27)22-10-9-17(12-19(21)22)20-13-29-23-8-6-5-7-18(20)23/h5-10,12-15,21H,11H2,1-4H3,(H,25,28)/t15-,21+/m0/s1.
What are the key properties of propan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[(2S,4R)-1-acetyl-6-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 406.48 g/mol, XLogP of 5.42, 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-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 135141885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).