N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide

C21H22N6O — CID 19147361

IUPACN'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
SMILESNc1c(NNC(=O)Cc2ccccc2)ncnc1N1CCCc2ccccc21
InChIInChI=1S/C21H22N6O/c22-19-20(26-25-18(28)13-15-7-2-1-3-8-15)23-14-24-21(19)27-12-6-10-16-9-4-5-11-17(16)27/h1-5,7-9,11,14H,6,10,12-13,22H2,(H,25,28)(H,23,24,26)
InChIKeyBDYWLRQILYSCDO-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.83
Rot. Bonds5

About N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide

N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide (PubChem CID 19147361) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
PubChem CID19147361
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
SMILESNc1c(NNC(=O)Cc2ccccc2)ncnc1N1CCCc2ccccc21
InChIInChI=1S/C21H22N6O/c22-19-20(26-25-18(28)13-15-7-2-1-3-8-15)23-14-24-21(19)27-12-6-10-16-9-4-5-11-17(16)27/h1-5,7-9,11,14H,6,10,12-13,22H2,(H,25,28)(H,23,24,26)
InChIKeyBDYWLRQILYSCDO-UHFFFAOYSA-N
XLogP2.83
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147403
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
1-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19147413
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19147319
N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19147712
ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19147410
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545603
4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147069
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide (CID 19147361) is N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide is Nc1c(NNC(=O)Cc2ccccc2)ncnc1N1CCCc2ccccc21.
What is the InChIKey of N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide?
The InChIKey is BDYWLRQILYSCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-19-20(26-25-18(28)13-15-7-2-1-3-8-15)23-14-24-21(19)27-12-6-10-16-9-4-5-11-17(16)27/h1-5,7-9,11,14H,6,10,12-13,22H2,(H,25,28)(H,23,24,26).
What are the key properties of N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide?
N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide has a molecular weight of 374.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide is sourced from PubChem (CID 19147361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).