benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride

C19H21Cl2N3O — CID 119579435

IUPACbenzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)c2cc3ccccc3c3cccnc23)CCN1.Cl.Cl
InChIInChI=1S/C19H19N3O.2ClH/c1-13-12-22(10-9-20-13)19(23)17-11-14-5-2-3-6-15(14)16-7-4-8-21-18(16)17;;/h2-8,11,13,20H,9-10,12H2,1H3;2*1H
InChIKeyJYAIQFMVQNMDBD-UHFFFAOYSA-N
MW378.30 g/mol
LogP3.67
Rot. Bonds1

About benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride

benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119579435) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Namebenzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119579435
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Namebenzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)c2cc3ccccc3c3cccnc23)CCN1.Cl.Cl
InChIInChI=1S/C19H19N3O.2ClH/c1-13-12-22(10-9-20-13)19(23)17-11-14-5-2-3-6-15(14)16-7-4-8-21-18(16)17;;/h2-8,11,13,20H,9-10,12H2,1H3;2*1H
InChIKeyJYAIQFMVQNMDBD-UHFFFAOYSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride 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

(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110893934
(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119578639
(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426440
4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide
CID 49417398
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55758585
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 167947336
(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119578005
1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528096
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998

Frequently Asked Questions

What is the IUPAC name of benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride (CID 119579435) is benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride is CC1CN(C(=O)c2cc3ccccc3c3cccnc23)CCN1.Cl.Cl.
What is the InChIKey of benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is JYAIQFMVQNMDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.2ClH/c1-13-12-22(10-9-20-13)19(23)17-11-14-5-2-3-6-15(14)16-7-4-8-21-18(16)17;;/h2-8,11,13,20H,9-10,12H2,1H3;2*1H.
What are the key properties of benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 378.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119579435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).