N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide

C20H17N7O — CID 19144770

IUPACN'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C20H17N7O/c21-16-18(25-15-10-4-8-13-9-5-11-22-17(13)15)23-12-24-19(16)26-27-20(28)14-6-2-1-3-7-14/h1-12H,21H2,(H,27,28)(H2,23,24,25,26)
InChIKeyBRXSKOVAHWAOQX-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.11
Rot. Bonds5

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

N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide (PubChem CID 19144770) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
PubChem CID19144770
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC NameN'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C20H17N7O/c21-16-18(25-15-10-4-8-13-9-5-11-22-17(13)15)23-12-24-19(16)26-27-20(28)14-6-2-1-3-7-14/h1-12H,21H2,(H,27,28)(H2,23,24,25,26)
InChIKeyBRXSKOVAHWAOQX-UHFFFAOYSA-N
XLogP3.11
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19144781
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19144908
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19144912
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
4-methyl-N'-[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22527264
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151582
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19152023
4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide (CID 19144770) is N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide is Nc1c(NNC(=O)c2ccccc2)ncnc1Nc1cccc2cccnc12.
What is the InChIKey of N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide?
The InChIKey is BRXSKOVAHWAOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c21-16-18(25-15-10-4-8-13-9-5-11-22-17(13)15)23-12-24-19(16)26-27-20(28)14-6-2-1-3-7-14/h1-12H,21H2,(H,27,28)(H2,23,24,25,26).
What are the key properties of N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide?
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide has a molecular weight of 371.40 g/mol, XLogP of 3.11, 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-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 19144770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).