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

C28H30N2O4 — CID 135141767

IUPACpropan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3ccc(Oc4ccccc4)cc3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C28H30N2O4/c1-18(2)33-28(32)29-26-16-19(3)30(20(4)31)27-15-12-22(17-25(26)27)21-10-13-24(14-11-21)34-23-8-6-5-7-9-23/h5-15,17-19,26H,16H2,1-4H3,(H,29,32)/t19-,26+/m0/s1
InChIKeyZDCPKTMRUFHHIH-AFMDSPMNSA-N
MW458.56 g/mol
LogP6.47
Rot. Bonds5

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

propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 135141767) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID135141767
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Namepropan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3ccc(Oc4ccccc4)cc3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C28H30N2O4/c1-18(2)33-28(32)29-26-16-19(3)30(20(4)31)27-15-12-22(17-25(26)27)21-10-13-24(14-11-21)34-23-8-6-5-7-9-23/h5-15,17-19,26H,16H2,1-4H3,(H,29,32)/t19-,26+/m0/s1
InChIKeyZDCPKTMRUFHHIH-AFMDSPMNSA-N
XLogP6.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 135141767) is propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(-c3ccc(Oc4ccccc4)cc3)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-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is ZDCPKTMRUFHHIH-AFMDSPMNSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-18(2)33-28(32)29-26-16-19(3)30(20(4)31)27-15-12-22(17-25(26)27)21-10-13-24(14-11-21)34-23-8-6-5-7-9-23/h5-15,17-19,26H,16H2,1-4H3,(H,29,32)/t19-,26+/m0/s1.
What are the key properties of propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 458.56 g/mol, XLogP of 6.47, 5 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-2-methyl-6-(4-phenoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 135141767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).