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'}

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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).