quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate

C26H22N2O3 — CID 155665107

IUPACquinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate
SMILESO=C(Cc1ccccc1)NC(Cc1ccccc1)C(=O)Oc1cccc2cccnc12
InChIInChI=1S/C26H22N2O3/c29-24(18-20-11-5-2-6-12-20)28-22(17-19-9-3-1-4-10-19)26(30)31-23-15-7-13-21-14-8-16-27-25(21)23/h1-16,22H,17-18H2,(H,28,29)
InChIKeySDLYUXBYNBBFGZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.11
Rot. Bonds7

About quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate

quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate (PubChem CID 155665107) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Namequinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate
PubChem CID155665107
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Namequinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate
SMILESO=C(Cc1ccccc1)NC(Cc1ccccc1)C(=O)Oc1cccc2cccnc12
InChIInChI=1S/C26H22N2O3/c29-24(18-20-11-5-2-6-12-20)28-22(17-19-9-3-1-4-10-19)26(30)31-23-15-7-13-21-14-8-16-27-25(21)23/h1-16,22H,17-18H2,(H,28,29)
InChIKeySDLYUXBYNBBFGZ-UHFFFAOYSA-N
XLogP4.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide
CID 5000225
(2S)-3-(4-phenylmethoxyphenyl)-2-[[4-(2-quinolin-8-yloxyethoxy)benzoyl]amino]propanoic acid
CID 66912848
(2R)-2-phenyl-2-[(2-quinolin-8-ylacetyl)amino]acetamide
CID 94598983
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
benzyl (2R)-2-[(2-phenylacetyl)amino]-3-(3-phenylmethoxyphenyl)propanoate
CID 124746412
methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
CID 110493570
quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate
CID 69033100
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid
CID 116819580

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate (CID 155665107) is quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate is O=C(Cc1ccccc1)NC(Cc1ccccc1)C(=O)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate?
The InChIKey is SDLYUXBYNBBFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c29-24(18-20-11-5-2-6-12-20)28-22(17-19-9-3-1-4-10-19)26(30)31-23-15-7-13-21-14-8-16-27-25(21)23/h1-16,22H,17-18H2,(H,28,29).
What are the key properties of quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate?
quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate has a molecular weight of 410.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 155665107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).