6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione

C17H13ClN2O2 — CID 10018431

IUPAC6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione
SMILESO=C1C(NCCCl)=CC(=O)c2nc(-c3ccccc3)ccc21
InChIInChI=1S/C17H13ClN2O2/c18-8-9-19-14-10-15(21)16-12(17(14)22)6-7-13(20-16)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2
InChIKeyCAHHEGINSVNWPK-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.84
Rot. Bonds4

About 6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione

6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione (PubChem CID 10018431) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione.

Molecular Properties

Compound Name6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione
PubChem CID10018431
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione
SMILESO=C1C(NCCCl)=CC(=O)c2nc(-c3ccccc3)ccc21
InChIInChI=1S/C17H13ClN2O2/c18-8-9-19-14-10-15(21)16-12(17(14)22)6-7-13(20-16)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2
InChIKeyCAHHEGINSVNWPK-UHFFFAOYSA-N
XLogP2.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(Phenylamino)-5,8-quinolinedione
CID 3976
Gangamicin
CID 99132
7-Amino-2-(pyridin-2-yl)quinoline-5,8-dione
CID 21771691
5,8-Quinolinedione, 6-((3-dibutylamino)propyl)amino-
CID 99151
2-methyl-N-(2-methyl-5,8-dioxoquinolin-7-yl)propanamide
CID 10634934
2-((Pyridin-2-ylmethyl)amino)naphthalene-1,4-dione
CID 2755900
6-(4-Fluoroanilino)quinoline-5,8-dione
CID 10400813
6-(3-Fluoroanilino)quinoline-5,8-dione
CID 10445727
7-Amino-2-methylquinoline-5,8-dione
CID 10976237
7-Acetamido-2-methylquinoline-5,8-dione
CID 9834526
6-((3-(1-Piperidinyl)propyl)amino)-5,8-quinolinedione
CID 99150
6-(3,4-Difluoroanilino)quinoline-5,8-dione
CID 15537861

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione?
The IUPAC name of 6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione (CID 10018431) is 6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione.
What is the SMILES notation for 6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione?
The canonical SMILES for 6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione is O=C1C(NCCCl)=CC(=O)c2nc(-c3ccccc3)ccc21.
What is the InChIKey of 6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione?
The InChIKey is CAHHEGINSVNWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-8-9-19-14-10-15(21)16-12(17(14)22)6-7-13(20-16)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2.
What are the key properties of 6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione?
6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione has a molecular weight of 312.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethylamino)-2-phenylquinoline-5,8-dione is sourced from PubChem (CID 10018431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).