6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one

C13H14Cl2N2O — CID 125483451

IUPAC6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2C[C@H]1CC1(Cl)Cl
InChIInChI=1S/C13H14Cl2N2O/c14-13(15)6-9(13)7-17-11-3-2-10(16)5-8(11)1-4-12(17)18/h2-3,5,9H,1,4,6-7,16H2/t9-/m1/s1
InChIKeyJMDKYXAMEMHXJA-SECBINFHSA-N
MW285.17 g/mol
LogP2.74
Rot. Bonds2

About 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one

6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 125483451) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one
PubChem CID125483451
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2C[C@H]1CC1(Cl)Cl
InChIInChI=1S/C13H14Cl2N2O/c14-13(15)6-9(13)7-17-11-3-2-10(16)5-8(11)1-4-12(17)18/h2-3,5,9H,1,4,6-7,16H2/t9-/m1/s1
InChIKeyJMDKYXAMEMHXJA-SECBINFHSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-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

6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
6-amino-1-(morpholin-3-ylmethyl)-3,4-dihydroquinolin-2-one
CID 115237843
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567
6-amino-1-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydroquinolin-2-one
CID 116615835
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one
CID 79227394
2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile
CID 115254242
7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 116521754

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one (CID 125483451) is 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one is Nc1ccc2c(c1)CCC(=O)N2C[C@H]1CC1(Cl)Cl.
What is the InChIKey of 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is JMDKYXAMEMHXJA-SECBINFHSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c14-13(15)6-9(13)7-17-11-3-2-10(16)5-8(11)1-4-12(17)18/h2-3,5,9H,1,4,6-7,16H2/t9-/m1/s1.
What are the key properties of 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one?
6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 285.17 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 125483451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).