formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one

C19H20N2O4 — CID 145279050

IUPACformaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one
SMILESC=O.CNc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C18H18N2O3.CH2O/c1-19-14-10-12(8-9-17(14)22-3)20(2)15-11-18(21)23-16-7-5-4-6-13(15)16;1-2/h4-11,19H,1-3H3;1H2
InChIKeyZBBIIXLDWIGUSU-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.43
Rot. Bonds4

About formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one

formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one (PubChem CID 145279050) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one.

Molecular Properties

Compound Nameformaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one
PubChem CID145279050
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameformaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one
SMILESC=O.CNc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C18H18N2O3.CH2O/c1-19-14-10-12(8-9-17(14)22-3)20(2)15-11-18(21)23-16-7-5-4-6-13(15)16;1-2/h4-11,19H,1-3H3;1H2
InChIKeyZBBIIXLDWIGUSU-UHFFFAOYSA-N
XLogP3.43
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial
CID 145279080
methyl 2-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]anilino]-2-oxoacetate
CID 135259626
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide
CID 175380473
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide
CID 135265412
(2S)-2-amino-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-phenylacetamide
CID 167438387
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide
CID 135259614
(2S)-2-(dibutylamino)-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]propanamide
CID 175862582
[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 3-methylbut-2-enoate
CID 135265494
[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 4-methylbenzenesulfonate
CID 135265484
4-[3-[(4-fluorophenyl)-methylidene-oxo-λ6-sulfanyl]oxy-4-methoxy-N-methylanilino]chromen-2-one
CID 158136587
4-[3-(2-amino-3-hydroxybutanoyl)-4-methoxy-N-methylanilino]chromen-2-one
CID 175576953
4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one
CID 135259640

Frequently Asked Questions

What is the IUPAC name of formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one?
The IUPAC name of formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one (CID 145279050) is formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one.
What is the SMILES notation for formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one?
The canonical SMILES for formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one is C=O.CNc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC.
What is the InChIKey of formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one?
The InChIKey is ZBBIIXLDWIGUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3.CH2O/c1-19-14-10-12(8-9-17(14)22-3)20(2)15-11-18(21)23-16-7-5-4-6-13(15)16;1-2/h4-11,19H,1-3H3;1H2.
What are the key properties of formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one?
formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one has a molecular weight of 340.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one is sourced from PubChem (CID 145279050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).