7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one

C24H28N2O3 — CID 156785339

IUPAC7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1[C@@H]1C[C@H]1CNC/C=C/COc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C24H28N2O3/c1-28-23-7-3-2-6-20(23)21-14-18(21)16-25-12-4-5-13-29-19-10-8-17-9-11-24(27)26-22(17)15-19/h2-8,10,15,18,21,25H,9,11-14,16H2,1H3,(H,26,27)/b5-4+/t18-,21+/m0/s1
InChIKeySRFNDHKXJPAPGT-BLCVROGKSA-N
MW392.50 g/mol
LogP3.91
Rot. Bonds9

About 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one

7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 156785339) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID156785339
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1[C@@H]1C[C@H]1CNC/C=C/COc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C24H28N2O3/c1-28-23-7-3-2-6-20(23)21-14-18(21)16-25-12-4-5-13-29-19-10-8-17-9-11-24(27)26-22(17)15-19/h2-8,10,15,18,21,25H,9,11-14,16H2,1H3,(H,26,27)/b5-4+/t18-,21+/m0/s1
InChIKeySRFNDHKXJPAPGT-BLCVROGKSA-N
XLogP3.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-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-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
CID 66885925
7-[4-[[2-(2-methylthiophen-3-yl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 175164276
N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one
CID 164622481
methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
CID 114939880
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
CID 139384353
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106931226

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one (CID 156785339) is 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one is COc1ccccc1[C@@H]1C[C@H]1CNC/C=C/COc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SRFNDHKXJPAPGT-BLCVROGKSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-23-7-3-2-6-20(23)21-14-18(21)16-25-12-4-5-13-29-19-10-8-17-9-11-24(27)26-22(17)15-19/h2-8,10,15,18,21,25H,9,11-14,16H2,1H3,(H,26,27)/b5-4+/t18-,21+/m0/s1.
What are the key properties of 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 156785339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).