1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine

C25H26N6O2 — CID 138493571

IUPAC1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine
SMILESCC(c1ccnc2c1OCCO2)[C@H](C)CN(N)c1cc(-c2cnc3ccccc3c2)ncn1
InChIInChI=1S/C25H26N6O2/c1-16(17(2)20-7-8-27-25-24(20)32-9-10-33-25)14-31(26)23-12-22(29-15-30-23)19-11-18-5-3-4-6-21(18)28-13-19/h3-8,11-13,15-17H,9-10,14,26H2,1-2H3/t16-,17?/m1/s1
InChIKeyOZFDHAMNTCEVQE-TZHYSIJRSA-N
MW442.52 g/mol
LogP3.98
Rot. Bonds6

About 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine

1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine (PubChem CID 138493571) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine
PubChem CID138493571
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine
SMILESCC(c1ccnc2c1OCCO2)[C@H](C)CN(N)c1cc(-c2cnc3ccccc3c2)ncn1
InChIInChI=1S/C25H26N6O2/c1-16(17(2)20-7-8-27-25-24(20)32-9-10-33-25)14-31(26)23-12-22(29-15-30-23)19-11-18-5-3-4-6-21(18)28-13-19/h3-8,11-13,15-17H,9-10,14,26H2,1-2H3/t16-,17?/m1/s1
InChIKeyOZFDHAMNTCEVQE-TZHYSIJRSA-N
XLogP3.98
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine with MolForge

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Related Compounds

N-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylsulfanylbutyl]-6-quinolin-7-ylpyrimidin-4-amine
CID 123873688
N-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-6-[6-methoxy-5-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrimidin-4-amine
CID 155440163
6-(5-amino-6-fluoro-3-pyridinyl)-N-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)butyl]pyrimidin-4-amine
CID 123549858
N-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylsulfanylbutyl]-6-isoquinolin-7-ylpyrimidin-4-amine
CID 123711416
1-(4-quinolin-3-ylphenyl)ethanamine
CID 61025772
1-(5-quinolin-3-ylfuran-2-yl)ethanamine
CID 82541710
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
N-propyl-2-quinolin-3-ylpyridin-4-amine
CID 102824586
2-quinolin-3-ylpyridine-4-carbonitrile
CID 56718080
3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline
CID 170692346
N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane
CID 162158891
3-(6-methoxypyridazin-3-yl)quinoline
CID 72888998

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine?
The IUPAC name of 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine (CID 138493571) is 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine?
The canonical SMILES for 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine is CC(c1ccnc2c1OCCO2)[C@H](C)CN(N)c1cc(-c2cnc3ccccc3c2)ncn1.
What is the InChIKey of 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine?
The InChIKey is OZFDHAMNTCEVQE-TZHYSIJRSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16(17(2)20-7-8-27-25-24(20)32-9-10-33-25)14-31(26)23-12-22(29-15-30-23)19-11-18-5-3-4-6-21(18)28-13-19/h3-8,11-13,15-17H,9-10,14,26H2,1-2H3/t16-,17?/m1/s1.
What are the key properties of 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine?
1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine has a molecular weight of 442.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-1-(6-quinolin-3-ylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 138493571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).