[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

C29H21ClN2O3 — CID 23993753

IUPAC[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)NCc1cccc(Cl)c1
InChIInChI=1S/C29H21ClN2O3/c30-21-10-5-7-19(15-21)17-31-28(33)18-35-29(34)25-16-27(32-26-14-4-3-12-24(25)26)23-13-6-9-20-8-1-2-11-22(20)23/h1-16H,17-18H2,(H,31,33)
InChIKeyXEVYOIGAXWLBDD-UHFFFAOYSA-N
MW480.95 g/mol
LogP6.18
Rot. Bonds6

About [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate (PubChem CID 23993753) has the molecular formula C29H21ClN2O3 and a molecular weight of 480.95 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
PubChem CID23993753
Molecular FormulaC29H21ClN2O3
Molecular Weight480.95 g/mol
Exact Mass480.12
IUPAC Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)NCc1cccc(Cl)c1
InChIInChI=1S/C29H21ClN2O3/c30-21-10-5-7-19(15-21)17-31-28(33)18-35-29(34)25-16-27(32-26-14-4-3-12-24(25)26)23-13-6-9-20-8-1-2-11-22(20)23/h1-16H,17-18H2,(H,31,33)
InChIKeyXEVYOIGAXWLBDD-UHFFFAOYSA-N
XLogP6.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.95
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2335666
[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2569270
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
CID 2370691
2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4551994
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8663404
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193609
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23767440
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495564
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2,5-difluorobenzoate
CID 50929815

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate (CID 23993753) is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)NCc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The InChIKey is XEVYOIGAXWLBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClN2O3/c30-21-10-5-7-19(15-21)17-31-28(33)18-35-29(34)25-16-27(32-26-14-4-3-12-24(25)26)23-13-6-9-20-8-1-2-11-22(20)23/h1-16H,17-18H2,(H,31,33).
What are the key properties of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate has a molecular weight of 480.95 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate is sourced from PubChem (CID 23993753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).