3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione

C14H12ClN3O3 — CID 60624289

IUPAC3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cc(CN3C(=O)CNC3=O)c(Cl)nc2c1
InChIInChI=1S/C14H12ClN3O3/c1-21-10-3-2-8-4-9(13(15)17-11(8)5-10)7-18-12(19)6-16-14(18)20/h2-5H,6-7H2,1H3,(H,16,20)
InChIKeyPRYJZHKTWVDMAT-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.95
Rot. Bonds3

About 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione

3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 60624289) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID60624289
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cc(CN3C(=O)CNC3=O)c(Cl)nc2c1
InChIInChI=1S/C14H12ClN3O3/c1-21-10-3-2-8-4-9(13(15)17-11(8)5-10)7-18-12(19)6-16-14(18)20/h2-5H,6-7H2,1H3,(H,16,20)
InChIKeyPRYJZHKTWVDMAT-UHFFFAOYSA-N
XLogP1.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione (CID 60624289) is 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione is COc1ccc2cc(CN3C(=O)CNC3=O)c(Cl)nc2c1.
What is the InChIKey of 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is PRYJZHKTWVDMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-21-10-3-2-8-4-9(13(15)17-11(8)5-10)7-18-12(19)6-16-14(18)20/h2-5H,6-7H2,1H3,(H,16,20).
What are the key properties of 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione?
3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 305.72 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60624289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).