6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one

C18H18N2O3 — CID 664029

IUPAC6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
SMILESCOc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1
InChIInChI=1S/C18H18N2O3/c1-22-15-5-3-14(4-6-15)19-11-13-9-12-10-16(23-2)7-8-17(12)20-18(13)21/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyMLNPHRCUBXIGFA-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.16
Rot. Bonds5

About 6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one

6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one (PubChem CID 664029) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
PubChem CID664029
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
SMILESCOc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1
InChIInChI=1S/C18H18N2O3/c1-22-15-5-3-14(4-6-15)19-11-13-9-12-10-16(23-2)7-8-17(12)20-18(13)21/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyMLNPHRCUBXIGFA-UHFFFAOYSA-N
XLogP3.16
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one (CID 664029) is 6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one is COc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1.
What is the InChIKey of 6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one?
The InChIKey is MLNPHRCUBXIGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-15-5-3-14(4-6-15)19-11-13-9-12-10-16(23-2)7-8-17(12)20-18(13)21/h3-10,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one?
6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one has a molecular weight of 310.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 664029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).