4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one

C24H26N2O3 — CID 167498983

IUPAC4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one
SMILESCc1ccccc1-c1cc(=O)oc2cc(NC(C)C(=O)N3CCCCC3)ccc12
InChIInChI=1S/C24H26N2O3/c1-16-8-4-5-9-19(16)21-15-23(27)29-22-14-18(10-11-20(21)22)25-17(2)24(28)26-12-6-3-7-13-26/h4-5,8-11,14-15,17,25H,3,6-7,12-13H2,1-2H3
InChIKeyLHRUYOQDKGVZKM-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.58
Rot. Bonds4

About 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one

4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one (PubChem CID 167498983) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one
PubChem CID167498983
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one
SMILESCc1ccccc1-c1cc(=O)oc2cc(NC(C)C(=O)N3CCCCC3)ccc12
InChIInChI=1S/C24H26N2O3/c1-16-8-4-5-9-19(16)21-15-23(27)29-22-14-18(10-11-20(21)22)25-17(2)24(28)26-12-6-3-7-13-26/h4-5,8-11,14-15,17,25H,3,6-7,12-13H2,1-2H3
InChIKeyLHRUYOQDKGVZKM-UHFFFAOYSA-N
XLogP4.58
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-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

tert-butyl 2-[[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]propanoate
CID 167499180
(3R)-3-[[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]butanoic acid
CID 167498989
(2S)-2-[[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]butanamide
CID 167498889
N-methyl-1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxamide
CID 138490731
(3R)-1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 138490753
2-methyl-3-[[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]propanoic acid
CID 167498679
(3S)-1-[(2S)-2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]propanoyl]piperidine-3-carboxylic acid
CID 167498401
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
7-(1-hydroxyethyl)-4-(2-methylphenyl)chromen-2-one
CID 167498961
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
CID 167497973
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one?
The IUPAC name of 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one (CID 167498983) is 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one.
What is the SMILES notation for 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one?
The canonical SMILES for 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one is Cc1ccccc1-c1cc(=O)oc2cc(NC(C)C(=O)N3CCCCC3)ccc12.
What is the InChIKey of 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one?
The InChIKey is LHRUYOQDKGVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-8-4-5-9-19(16)21-15-23(27)29-22-14-18(10-11-20(21)22)25-17(2)24(28)26-12-6-3-7-13-26/h4-5,8-11,14-15,17,25H,3,6-7,12-13H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one?
4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one has a molecular weight of 390.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-7-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]chromen-2-one is sourced from PubChem (CID 167498983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).