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

C21H18ClN7O — CID 19144912

IUPACN'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESCc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3N)c2n1
InChIInChI=1S/C21H18ClN7O/c1-12-5-6-13-3-2-4-16(18(13)26-12)27-19-17(23)20(25-11-24-19)28-29-21(30)14-7-9-15(22)10-8-14/h2-11H,23H2,1H3,(H,29,30)(H2,24,25,27,28)
InChIKeyLTFAMRLCEGATNF-UHFFFAOYSA-N
MW419.88 g/mol
LogP4.07
Rot. Bonds5

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

N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide (PubChem CID 19144912) has the molecular formula C21H18ClN7O and a molecular weight of 419.88 g/mol. Its IUPAC name is N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
PubChem CID19144912
Molecular FormulaC21H18ClN7O
Molecular Weight419.88 g/mol
Exact Mass419.13
IUPAC NameN'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESCc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3N)c2n1
InChIInChI=1S/C21H18ClN7O/c1-12-5-6-13-3-2-4-16(18(13)26-12)27-19-17(23)20(25-11-24-19)28-29-21(30)14-7-9-15(22)10-8-14/h2-11H,23H2,1H3,(H,29,30)(H2,24,25,27,28)
InChIKeyLTFAMRLCEGATNF-UHFFFAOYSA-N
XLogP4.07
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 54.07
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]-4-chlorobenzohydrazide 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]benzohydrazide
CID 19144908
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19144781
N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144907
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151022
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 22545639
methyl 4-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144895
6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144885
1-[3-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547428
N'-[5-amino-6-(4-chloro-2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22546471

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide (CID 19144912) is N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide is Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3N)c2n1.
What is the InChIKey of N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
The InChIKey is LTFAMRLCEGATNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O/c1-12-5-6-13-3-2-4-16(18(13)26-12)27-19-17(23)20(25-11-24-19)28-29-21(30)14-7-9-15(22)10-8-14/h2-11H,23H2,1H3,(H,29,30)(H2,24,25,27,28).
What are the key properties of N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide has a molecular weight of 419.88 g/mol, XLogP of 4.07, 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]-4-chlorobenzohydrazide is sourced from PubChem (CID 19144912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).