benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

C22H26N4O — CID 155525180

IUPACbenzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2cnc3c(ccc4ccccc43)c2)CC1
InChIInChI=1S/C22H26N4O/c1-24(2)9-10-25-11-13-26(14-12-25)22(27)19-15-18-8-7-17-5-3-4-6-20(17)21(18)23-16-19/h3-8,15-16H,9-14H2,1-2H3
InChIKeyMZBVLNZPEIOQHU-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.71
Rot. Bonds4

About benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 155525180) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namebenzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
PubChem CID155525180
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Namebenzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2cnc3c(ccc4ccccc43)c2)CC1
InChIInChI=1S/C22H26N4O/c1-24(2)9-10-25-11-13-26(14-12-25)22(27)19-15-18-8-7-17-5-3-4-6-20(17)21(18)23-16-19/h3-8,15-16H,9-14H2,1-2H3
InChIKeyMZBVLNZPEIOQHU-UHFFFAOYSA-N
XLogP2.71
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The IUPAC name of benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (CID 155525180) is benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is CN(C)CCN1CCN(C(=O)c2cnc3c(ccc4ccccc43)c2)CC1.
What is the InChIKey of benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The InChIKey is MZBVLNZPEIOQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-24(2)9-10-25-11-13-26(14-12-25)22(27)19-15-18-8-7-17-5-3-4-6-20(17)21(18)23-16-19/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 155525180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).