N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide

C21H19N7O — CID 19144908

IUPACN'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide
SMILESCc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccccc4)c3N)c2n1
InChIInChI=1S/C21H19N7O/c1-13-10-11-14-8-5-9-16(18(14)25-13)26-19-17(22)20(24-12-23-19)27-28-21(29)15-6-3-2-4-7-15/h2-12H,22H2,1H3,(H,28,29)(H2,23,24,26,27)
InChIKeyHTNAGCHOVHWERJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.42
Rot. Bonds5

About N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide

N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide (PubChem CID 19144908) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide
PubChem CID19144908
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide
SMILESCc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccccc4)c3N)c2n1
InChIInChI=1S/C21H19N7O/c1-13-10-11-14-8-5-9-16(18(14)25-13)26-19-17(22)20(24-12-23-19)27-28-21(29)15-6-3-2-4-7-15/h2-12H,22H2,1H3,(H,28,29)(H2,23,24,26,27)
InChIKeyHTNAGCHOVHWERJ-UHFFFAOYSA-N
XLogP3.42
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide 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'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19144912
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
1-[3-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547428
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
methyl 4-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144895
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19144781
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19152023
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
6-N-(2-methylquinolin-8-yl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135607
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
1-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19144981

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide (CID 19144908) is N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide is Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccccc4)c3N)c2n1.
What is the InChIKey of N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide?
The InChIKey is HTNAGCHOVHWERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-13-10-11-14-8-5-9-16(18(14)25-13)26-19-17(22)20(24-12-23-19)27-28-21(29)15-6-3-2-4-7-15/h2-12H,22H2,1H3,(H,28,29)(H2,23,24,26,27).
What are the key properties of N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide?
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide has a molecular weight of 385.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 19144908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).