[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate

C24H24N2O3 — CID 55526039

IUPAC[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate
SMILESO=C(COC(=O)CCc1ccc2ccccc2n1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C24H24N2O3/c27-22(25-17-24(14-15-24)19-7-2-1-3-8-19)16-29-23(28)13-12-20-11-10-18-6-4-5-9-21(18)26-20/h1-11H,12-17H2,(H,25,27)
InChIKeyDLZMBFGNKQHCCT-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.56
Rot. Bonds8

About [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate

[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate (PubChem CID 55526039) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate
PubChem CID55526039
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate
SMILESO=C(COC(=O)CCc1ccc2ccccc2n1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C24H24N2O3/c27-22(25-17-24(14-15-24)19-7-2-1-3-8-19)16-29-23(28)13-12-20-11-10-18-6-4-5-9-21(18)26-20/h1-11H,12-17H2,(H,25,27)
InChIKeyDLZMBFGNKQHCCT-UHFFFAOYSA-N
XLogP3.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
CID 29486304
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate
CID 30517012
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 55367848
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 31615561
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486495
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 4-(thiophene-3-carbonylamino)butanoate
CID 55541537
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
1,3-benzothiazol-2-ylmethyl 3-quinolin-2-ylpropanoate
CID 29486192
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 5-methylpyrazine-2-carboxylate
CID 30583280

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate (CID 55526039) is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate is O=C(COC(=O)CCc1ccc2ccccc2n1)NCC1(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate?
The InChIKey is DLZMBFGNKQHCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-22(25-17-24(14-15-24)19-7-2-1-3-8-19)16-29-23(28)13-12-20-11-10-18-6-4-5-9-21(18)26-20/h1-11H,12-17H2,(H,25,27).
What are the key properties of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate?
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate has a molecular weight of 388.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 55526039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).