2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione

C19H15ClN2O4 — CID 57183210

IUPAC2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione
SMILESCOCN1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C19H15ClN2O4/c1-26-10-21-15-9-12(20)7-6-11(15)8-16(19(21)25)22-17(23)13-4-2-3-5-14(13)18(22)24/h2-7,9,16H,8,10H2,1H3/t16-/m0/s1
InChIKeyBEDMLKKUUFDBRD-INIZCTEOSA-N
MW370.79 g/mol
LogP2.50
Rot. Bonds3

About 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione

2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione (PubChem CID 57183210) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione
PubChem CID57183210
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione
SMILESCOCN1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C19H15ClN2O4/c1-26-10-21-15-9-12(20)7-6-11(15)8-16(19(21)25)22-17(23)13-4-2-3-5-14(13)18(22)24/h2-7,9,16H,8,10H2,1H3/t16-/m0/s1
InChIKeyBEDMLKKUUFDBRD-INIZCTEOSA-N
XLogP2.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 11289629
methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate
CID 143235824
(3R,10aR)-7-chloro-3-methyl-2,3,10,10a-tetrahydropyrazino[1,2-a]indole-1,4-dione
CID 90753258
2-[(4S)-4-(1,3-dioxoisoindol-2-yl)-8-hydroxy-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid
CID 10738537
2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
CID 71270644
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
methyl 2-(3-chloro-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)acetate
CID 50794266
2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione
CID 3028978
ethyl 2-[3-(1,3-dioxoisoindol-2-yl)-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetate
CID 13338741
N-hydroxy-5-(methoxymethyl)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-amine oxide
CID 22210294
2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione
CID 102437877
3-hydroxy-2-methoxy-5-(methoxymethyl)-7,8-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-6,9,11-trione
CID 134838369

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione (CID 57183210) is 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione is COCN1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)Cc2ccc(Cl)cc21.
What is the InChIKey of 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione?
The InChIKey is BEDMLKKUUFDBRD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-26-10-21-15-9-12(20)7-6-11(15)8-16(19(21)25)22-17(23)13-4-2-3-5-14(13)18(22)24/h2-7,9,16H,8,10H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione?
2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione has a molecular weight of 370.79 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 57183210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).