6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane

C40H58Cl2N10O2 — CID 145029123

IUPAC6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane
SMILESCC.CC(CN(C)C)Nc1nn(C)c(=O)c2c1CCN(c1ccc(Cl)cc1)C2.CC(CN(C)C)Nc1nn(C)c(=O)c2c1CN(c1ccc(Cl)cc1)CC2
InChIInChI=1S/2C19H26ClN5O.C2H6/c1-13(11-23(2)3)21-18-17-12-25(15-7-5-14(20)6-8-15)10-9-16(17)19(26)24(4)22-18;1-13(11-23(2)3)21-18-16-9-10-25(15-7-5-14(20)6-8-15)12-17(16)19(26)24(4)22-18;1-2/h2*5-8,13H,9-12H2,1-4H3,(H,21,22);1-2H3
InChIKeyYDUDCQDEMUZRNR-UHFFFAOYSA-N
MW781.88 g/mol
LogP5.74
Rot. Bonds10

About 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane

6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane (PubChem CID 145029123) has the molecular formula C40H58Cl2N10O2 and a molecular weight of 781.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane
PubChem CID145029123
Molecular FormulaC40H58Cl2N10O2
Molecular Weight781.88 g/mol
Exact Mass780.41
IUPAC Name6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane
SMILESCC.CC(CN(C)C)Nc1nn(C)c(=O)c2c1CCN(c1ccc(Cl)cc1)C2.CC(CN(C)C)Nc1nn(C)c(=O)c2c1CN(c1ccc(Cl)cc1)CC2
InChIInChI=1S/2C19H26ClN5O.C2H6/c1-13(11-23(2)3)21-18-17-12-25(15-7-5-14(20)6-8-15)10-9-16(17)19(26)24(4)22-18;1-13(11-23(2)3)21-18-16-9-10-25(15-7-5-14(20)6-8-15)12-17(16)19(26)24(4)22-18;1-2/h2*5-8,13H,9-12H2,1-4H3,(H,21,22);1-2H3
InChIKeyYDUDCQDEMUZRNR-UHFFFAOYSA-N
XLogP5.74
TPSA106.80 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500781.88
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane?
The IUPAC name of 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane (CID 145029123) is 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane.
What is the SMILES notation for 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane?
The canonical SMILES for 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane is CC.CC(CN(C)C)Nc1nn(C)c(=O)c2c1CCN(c1ccc(Cl)cc1)C2.CC(CN(C)C)Nc1nn(C)c(=O)c2c1CN(c1ccc(Cl)cc1)CC2.
What is the InChIKey of 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane?
The InChIKey is YDUDCQDEMUZRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H26ClN5O.C2H6/c1-13(11-23(2)3)21-18-17-12-25(15-7-5-14(20)6-8-15)10-9-16(17)19(26)24(4)22-18;1-13(11-23(2)3)21-18-16-9-10-25(15-7-5-14(20)6-8-15)12-17(16)19(26)24(4)22-18;1-2/h2*5-8,13H,9-12H2,1-4H3,(H,21,22);1-2H3.
What are the key properties of 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane?
6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane has a molecular weight of 781.88 g/mol, XLogP of 5.74, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane is sourced from PubChem (CID 145029123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).