7-(ethylamino)-6-methyl-4-phenylchromen-2-one

C18H17NO2 — CID 158924027

IUPAC7-(ethylamino)-6-methyl-4-phenylchromen-2-one
SMILESCCNc1cc2oc(=O)cc(-c3ccccc3)c2cc1C
InChIInChI=1S/C18H17NO2/c1-3-19-16-11-17-15(9-12(16)2)14(10-18(20)21-17)13-7-5-4-6-8-13/h4-11,19H,3H2,1-2H3
InChIKeyJIEWJZADZNNXAC-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.20
Rot. Bonds3

About 7-(ethylamino)-6-methyl-4-phenylchromen-2-one

7-(ethylamino)-6-methyl-4-phenylchromen-2-one (PubChem CID 158924027) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(ethylamino)-6-methyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-(ethylamino)-6-methyl-4-phenylchromen-2-one
PubChem CID158924027
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name7-(ethylamino)-6-methyl-4-phenylchromen-2-one
SMILESCCNc1cc2oc(=O)cc(-c3ccccc3)c2cc1C
InChIInChI=1S/C18H17NO2/c1-3-19-16-11-17-15(9-12(16)2)14(10-18(20)21-17)13-7-5-4-6-8-13/h4-11,19H,3H2,1-2H3
InChIKeyJIEWJZADZNNXAC-UHFFFAOYSA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(ethylamino)-6-methyl-4-phenylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethoxy-6-ethyl-4-phenylchromen-2-one
CID 2888002
7-ethoxy-4-phenylchromen-2-one
CID 678937
ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
CID 154341354
6-tert-butyl-4-[4-(4-phenylphenyl)phenyl]chromen-2-one
CID 11235769
tetrakis(diaminomethylideneazanium);bis(9,10-dioxoanthracene-2,6-disulfonate);bis(7-(ethylamino)-4,6-dimethylchromen-2-one)
CID 139146991
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide
CID 24520454
4,6-diethyl-7-(ethylamino)chromen-2-one
CID 22476791
2-(2-oxo-4-phenyl-6-propylchromen-7-yl)oxyacetamide
CID 166604353
7-methoxy-4-methyl-6-phenylchromen-2-one
CID 102307411
7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one
CID 172878951
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
ethyl (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetate
CID 2277249

Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-6-methyl-4-phenylchromen-2-one?
The IUPAC name of 7-(ethylamino)-6-methyl-4-phenylchromen-2-one (CID 158924027) is 7-(ethylamino)-6-methyl-4-phenylchromen-2-one.
What is the SMILES notation for 7-(ethylamino)-6-methyl-4-phenylchromen-2-one?
The canonical SMILES for 7-(ethylamino)-6-methyl-4-phenylchromen-2-one is CCNc1cc2oc(=O)cc(-c3ccccc3)c2cc1C.
What is the InChIKey of 7-(ethylamino)-6-methyl-4-phenylchromen-2-one?
The InChIKey is JIEWJZADZNNXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-19-16-11-17-15(9-12(16)2)14(10-18(20)21-17)13-7-5-4-6-8-13/h4-11,19H,3H2,1-2H3.
What are the key properties of 7-(ethylamino)-6-methyl-4-phenylchromen-2-one?
7-(ethylamino)-6-methyl-4-phenylchromen-2-one has a molecular weight of 279.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-6-methyl-4-phenylchromen-2-one is sourced from PubChem (CID 158924027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).