4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one

C25H31Cl2N3O2 — CID 147533941

IUPAC4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one
SMILESNCC1CC(=O)Cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc21
InChIInChI=1S/C25H31Cl2N3O2/c26-23-4-3-5-24(25(23)27)30-11-9-29(10-12-30)8-1-2-13-32-21-6-7-22-18(16-21)14-20(31)15-19(22)17-28/h3-7,16,19H,1-2,8-15,17,28H2
InChIKeyFNPBBWQCCLPJNU-UHFFFAOYSA-N
MW476.45 g/mol
LogP4.53
Rot. Bonds8

About 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one

4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 147533941) has the molecular formula C25H31Cl2N3O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one
PubChem CID147533941
Molecular FormulaC25H31Cl2N3O2
Molecular Weight476.45 g/mol
Exact Mass475.18
IUPAC Name4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one
SMILESNCC1CC(=O)Cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc21
InChIInChI=1S/C25H31Cl2N3O2/c26-23-4-3-5-24(25(23)27)30-11-9-29(10-12-30)8-1-2-13-32-21-6-7-22-18(16-21)14-20(31)15-19(22)17-28/h3-7,16,19H,1-2,8-15,17,28H2
InChIKeyFNPBBWQCCLPJNU-UHFFFAOYSA-N
XLogP4.53
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-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

N-[[6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3-oxo-2,4-dihydro-1H-naphthalen-1-yl]methyl]-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
CID 160985748
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69164528
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide
CID 66810500
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 11720026
7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 171647773
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
CID 11951410
2-amino-N-[1-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-1-oxopropan-2-yl]acetamide
CID 58579100
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl 2-aminopropanoate
CID 58096612
3-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]propanal
CID 176723102
acetic acid;7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 11577060
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl] 2-methylbutanoate
CID 164995367
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]methyl 4-acetamidobutanoate
CID 91326922

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one (CID 147533941) is 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one is NCC1CC(=O)Cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc21.
What is the InChIKey of 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is FNPBBWQCCLPJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2N3O2/c26-23-4-3-5-24(25(23)27)30-11-9-29(10-12-30)8-1-2-13-32-21-6-7-22-18(16-21)14-20(31)15-19(22)17-28/h3-7,16,19H,1-2,8-15,17,28H2.
What are the key properties of 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one?
4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 476.45 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 147533941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).