7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one

C18H17NO3 — CID 2697490

IUPAC7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one
SMILESCOc1ccc2c(CN(C)c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C18H17NO3/c1-19(14-6-4-3-5-7-14)12-13-10-18(20)22-17-11-15(21-2)8-9-16(13)17/h3-11H,12H2,1-2H3
InChIKeyDXBWVGLNGMWBGF-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.44
Rot. Bonds4

About 7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one

7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one (PubChem CID 2697490) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one
PubChem CID2697490
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one
SMILESCOc1ccc2c(CN(C)c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C18H17NO3/c1-19(14-6-4-3-5-7-14)12-13-10-18(20)22-17-11-15(21-2)8-9-16(13)17/h3-11H,12H2,1-2H3
InChIKeyDXBWVGLNGMWBGF-UHFFFAOYSA-N
XLogP3.44
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one
CID 10250895
4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 10317514
7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 56966475
7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 9976024
7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one
CID 155535905
3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 10384998
[3-[4-(3,4-Dimethyl-2-oxochromen-7-yl)oxybutoxy]-5-hydroxyphenyl]-trimethylazanium iodide
CID 44578510
7-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]-4-methylchromen-2-one
CID 56971556
4,7-Dimethyl-5-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butoxy]coumarin
CID 129840972
4-{[ethyl(phenyl)amino]methyl}-7-methyl-2H-chromen-2-one
CID 6462220
4-{[(4-Ethoxy-phenyl)-methyl-amino]-methyl}-6-methoxy-chromen-2-one
CID 6485176
7-Hydroxy-4-[(2-methoxyanilino)methyl]-8-methylchromen-2-one
CID 9345359

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one (CID 2697490) is 7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one is COc1ccc2c(CN(C)c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one?
The InChIKey is DXBWVGLNGMWBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19(14-6-4-3-5-7-14)12-13-10-18(20)22-17-11-15(21-2)8-9-16(13)17/h3-11H,12H2,1-2H3.
What are the key properties of 7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one?
7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one has a molecular weight of 295.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(N-methylanilino)methyl]chromen-2-one is sourced from PubChem (CID 2697490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).