N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide

C30H28N6O — CID 177299962

IUPACN-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide
SMILESCc1c(-c2ccc(C(=O)NCCN(C)C)cc2)nc2ccc3n[nH]c(C#Cc4ccncc4)c3c2c1C
InChIInChI=1S/C30H28N6O/c1-19-20(2)29(22-6-8-23(9-7-22)30(37)32-17-18-36(3)4)33-24-11-12-26-28(27(19)24)25(34-35-26)10-5-21-13-15-31-16-14-21/h6-9,11-16H,17-18H2,1-4H3,(H,32,37)(H,34,35)
InChIKeyZSVILDSQOWCGDI-UHFFFAOYSA-N
MW488.60 g/mol
LogP4.48
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide

N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide (PubChem CID 177299962) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide
PubChem CID177299962
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide
SMILESCc1c(-c2ccc(C(=O)NCCN(C)C)cc2)nc2ccc3n[nH]c(C#Cc4ccncc4)c3c2c1C
InChIInChI=1S/C30H28N6O/c1-19-20(2)29(22-6-8-23(9-7-22)30(37)32-17-18-36(3)4)33-24-11-12-26-28(27(19)24)25(34-35-26)10-5-21-13-15-31-16-14-21/h6-9,11-16H,17-18H2,1-4H3,(H,32,37)(H,34,35)
InChIKeyZSVILDSQOWCGDI-UHFFFAOYSA-N
XLogP4.48
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide 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-[2-(dimethylamino)ethyl]-4-[1-(2-pyridin-4-ylethynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]benzamide
CID 177299904
N-[2-(dimethylamino)ethyl]-4-[17-(2-pyridin-4-ylethynyl)-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14,17-hexaen-9-yl]benzamide
CID 177299982
N-[2-(dimethylamino)ethyl]-6-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-3-carboxamide
CID 177299934
N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
CID 177299967
N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816514
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide
CID 138649534
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[6-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]hexyl]benzamide
CID 138650082
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
N-[2-(dimethylamino)ethyl]-3-fluoro-4-(5-methyl-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-2(14),3(11),4,7,9,12-hexaen-13-yl)benzamide
CID 177299878
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide
CID 138649300
N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide
CID 57110416

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide (CID 177299962) is N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide is Cc1c(-c2ccc(C(=O)NCCN(C)C)cc2)nc2ccc3n[nH]c(C#Cc4ccncc4)c3c2c1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide?
The InChIKey is ZSVILDSQOWCGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c1-19-20(2)29(22-6-8-23(9-7-22)30(37)32-17-18-36(3)4)33-24-11-12-26-28(27(19)24)25(34-35-26)10-5-21-13-15-31-16-14-21/h6-9,11-16H,17-18H2,1-4H3,(H,32,37)(H,34,35).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide has a molecular weight of 488.60 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide is sourced from PubChem (CID 177299962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).