(4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate

C19H18N2O3 — CID 163896148

IUPAC(4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate
SMILESC=Cc1ccc(COC(=O)C2CC(=O)c3cc(N)ccc3N2)cc1
InChIInChI=1S/C19H18N2O3/c1-2-12-3-5-13(6-4-12)11-24-19(23)17-10-18(22)15-9-14(20)7-8-16(15)21-17/h2-9,17,21H,1,10-11,20H2
InChIKeyQFUCSEBPMNPTHN-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.02
Rot. Bonds4

About (4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate

(4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate (PubChem CID 163896148) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate
PubChem CID163896148
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate
SMILESC=Cc1ccc(COC(=O)C2CC(=O)c3cc(N)ccc3N2)cc1
InChIInChI=1S/C19H18N2O3/c1-2-12-3-5-13(6-4-12)11-24-19(23)17-10-18(22)15-9-14(20)7-8-16(15)21-17/h2-9,17,21H,1,10-11,20H2
InChIKeyQFUCSEBPMNPTHN-UHFFFAOYSA-N
XLogP3.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate?
The IUPAC name of (4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate (CID 163896148) is (4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate.
What is the SMILES notation for (4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate?
The canonical SMILES for (4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate is C=Cc1ccc(COC(=O)C2CC(=O)c3cc(N)ccc3N2)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate?
The InChIKey is QFUCSEBPMNPTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-12-3-5-13(6-4-12)11-24-19(23)17-10-18(22)15-9-14(20)7-8-16(15)21-17/h2-9,17,21H,1,10-11,20H2.
What are the key properties of (4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate?
(4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate is sourced from PubChem (CID 163896148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).