N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide

C21H18N6O2 — CID 19141803

IUPACN'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(Oc2cccc3cccnc23)c1N
InChIInChI=1S/C21H18N6O2/c1-13-6-2-3-9-15(13)20(28)27-26-19-17(22)21(25-12-24-19)29-16-10-4-7-14-8-5-11-23-18(14)16/h2-12H,22H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyOHPIZVUNYURCEW-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.46
Rot. Bonds5

About N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide

N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide (PubChem CID 19141803) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
PubChem CID19141803
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(Oc2cccc3cccnc23)c1N
InChIInChI=1S/C21H18N6O2/c1-13-6-2-3-9-15(13)20(28)27-26-19-17(22)21(25-12-24-19)29-16-10-4-7-14-8-5-11-23-18(14)16/h2-12H,22H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyOHPIZVUNYURCEW-UHFFFAOYSA-N
XLogP3.46
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.46
H-Bond Donors ≤ 53
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-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19141820
N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide
CID 19150958
2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
CID 23493858
N'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151504
N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150903
N'-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22535286
N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
CID 23493849
4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135970
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150924
N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide
CID 22541478
4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141861

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide?
The IUPAC name of N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide (CID 19141803) is N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide?
The canonical SMILES for N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNc1ncnc(Oc2cccc3cccnc23)c1N.
What is the InChIKey of N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide?
The InChIKey is OHPIZVUNYURCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-13-6-2-3-9-15(13)20(28)27-26-19-17(22)21(25-12-24-19)29-16-10-4-7-14-8-5-11-23-18(14)16/h2-12H,22H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide?
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide has a molecular weight of 386.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide is sourced from PubChem (CID 19141803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).