[4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate

C24H30N2O4 — CID 23301641

IUPAC[4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate
SMILESCCOC(=O)Oc1cc(C)c(CC(N)C(=O)N2CC(C)Cc3ccccc32)c(C)c1
InChIInChI=1S/C24H30N2O4/c1-5-29-24(28)30-19-11-16(3)20(17(4)12-19)13-21(25)23(27)26-14-15(2)10-18-8-6-7-9-22(18)26/h6-9,11-12,15,21H,5,10,13-14,25H2,1-4H3
InChIKeyRGCMRASYCUSVSX-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.93
Rot. Bonds5

About [4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate

[4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate (PubChem CID 23301641) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is [4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate
PubChem CID23301641
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name[4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate
SMILESCCOC(=O)Oc1cc(C)c(CC(N)C(=O)N2CC(C)Cc3ccccc32)c(C)c1
InChIInChI=1S/C24H30N2O4/c1-5-29-24(28)30-19-11-16(3)20(17(4)12-19)13-21(25)23(27)26-14-15(2)10-18-8-6-7-9-22(18)26/h6-9,11-12,15,21H,5,10,13-14,25H2,1-4H3
InChIKeyRGCMRASYCUSVSX-UHFFFAOYSA-N
XLogP3.93
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-bromophenyl] ethyl carbonate
CID 23301671
[4-[(2R)-2-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] methyl carbonate
CID 54026327
[4-[1-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-bromo-5-methylphenyl] ethyl carbonate
CID 57157732
(2S)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfanylbutan-1-one
CID 63523011
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
[4-[(2R)-2-amino-3-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] methyl carbonate
CID 54517051
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 103929918
ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 63465644
2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propan-1-one
CID 23301617
3-amino-3-(2-chloro-4-methoxy-6-methylphenyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 57044115
[4-[1-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-bromophenyl] prop-2-enyl carbonate
CID 57222880

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate?
The IUPAC name of [4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate (CID 23301641) is [4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate.
What is the SMILES notation for [4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate?
The canonical SMILES for [4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate is CCOC(=O)Oc1cc(C)c(CC(N)C(=O)N2CC(C)Cc3ccccc32)c(C)c1.
What is the InChIKey of [4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate?
The InChIKey is RGCMRASYCUSVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-29-24(28)30-19-11-16(3)20(17(4)12-19)13-21(25)23(27)26-14-15(2)10-18-8-6-7-9-22(18)26/h6-9,11-12,15,21H,5,10,13-14,25H2,1-4H3.
What are the key properties of [4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate?
[4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate has a molecular weight of 410.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] ethyl carbonate is sourced from PubChem (CID 23301641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).