3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one

C32H31Cl3N6O2 — CID 160617909

IUPAC3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one
SMILESC=Cc1ccc(Cl)nn1.CC1CCc2nc(Cl)ccc2C1=O.CCc1ccc(C2(C)CCc3nc(Cl)ccc3C2=O)nn1
InChIInChI=1S/C16H16ClN3O.C10H10ClNO.C6H5ClN2/c1-3-10-4-6-13(20-19-10)16(2)9-8-12-11(15(16)21)5-7-14(17)18-12;1-6-2-4-8-7(10(6)13)3-5-9(11)12-8;1-2-5-3-4-6(7)9-8-5/h4-7H,3,8-9H2,1-2H3;3,5-6H,2,4H2,1H3;2-4H,1H2
InChIKeyRGIFNFHPIKTUEP-UHFFFAOYSA-N
MW638.00 g/mol
LogP7.45
Rot. Bonds3

About 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one

3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one (PubChem CID 160617909) has the molecular formula C32H31Cl3N6O2 and a molecular weight of 638.00 g/mol. Its IUPAC name is 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one
PubChem CID160617909
Molecular FormulaC32H31Cl3N6O2
Molecular Weight638.00 g/mol
Exact Mass636.16
IUPAC Name3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one
SMILESC=Cc1ccc(Cl)nn1.CC1CCc2nc(Cl)ccc2C1=O.CCc1ccc(C2(C)CCc3nc(Cl)ccc3C2=O)nn1
InChIInChI=1S/C16H16ClN3O.C10H10ClNO.C6H5ClN2/c1-3-10-4-6-13(20-19-10)16(2)9-8-12-11(15(16)21)5-7-14(17)18-12;1-6-2-4-8-7(10(6)13)3-5-9(11)12-8;1-2-5-3-4-6(7)9-8-5/h4-7H,3,8-9H2,1-2H3;3,5-6H,2,4H2,1H3;2-4H,1H2
InChIKeyRGIFNFHPIKTUEP-UHFFFAOYSA-N
XLogP7.45
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.00
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-Chloro-6-methyl-6-[6-(trifluoromethyl)pyridazin-3-yl]-7,8-dihydroquinolin-5-one
CID 124088524
2-Chloro-4,6-dimethyl-6-[6-(trifluoromethyl)pyridazin-3-yl]-7,8-dihydroquinolin-5-one
CID 124088534
(2E)-3-(4-Chlorophenyl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one
CID 139080842
(2E)-3-(2-Chloro-8-methylquinolin-3-yl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one
CID 139085845
(2E)-3-(2-Chloro-8-methylquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
CID 139085852
2-Chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one
CID 122704017
2-Chloro-4,6-dimethyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one
CID 124088473
2-Chloro-6-(6-ethylpyridazin-3-yl)-4,6-dimethyl-7,8-dihydroquinolin-5-one
CID 124088548
2-Chloro-6-methyl-6-(6-propan-2-ylpyridazin-3-yl)-7,8-dihydroquinolin-5-one
CID 124088552
2-Chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one
CID 135225799
bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline
CID 158582416
3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-4,6-dimethyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one
CID 161725169

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one (CID 160617909) is 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one is C=Cc1ccc(Cl)nn1.CC1CCc2nc(Cl)ccc2C1=O.CCc1ccc(C2(C)CCc3nc(Cl)ccc3C2=O)nn1.
What is the InChIKey of 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is RGIFNFHPIKTUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O.C10H10ClNO.C6H5ClN2/c1-3-10-4-6-13(20-19-10)16(2)9-8-12-11(15(16)21)5-7-14(17)18-12;1-6-2-4-8-7(10(6)13)3-5-9(11)12-8;1-2-5-3-4-6(7)9-8-5/h4-7H,3,8-9H2,1-2H3;3,5-6H,2,4H2,1H3;2-4H,1H2.
What are the key properties of 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one?
3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 638.00 g/mol, XLogP of 7.45, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethenylpyridazine;2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one;2-chloro-6-methyl-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 160617909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).