1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide

C55H51N9O4 — CID 144728443

About 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide

1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide (PubChem CID 144728443) has the molecular formula C55H51N9O4 and a molecular weight of 902.07 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide
• PubChem CID: 144728443
• Molecular Formula: C55H51N9O4
• Molecular Weight: 902.07 g/mol
• Exact Mass: 901.41
• IUPAC Name: 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide
• SMILES: CC.CCN(C(=O)c1nn(-c2ccccc2)c(=O)c2c1c1ccccc1n2C)c1ccncc1.Cc1ccc(-n2nc(C(=O)N3CCCc4ccccc43)c3c4ccccc4n(C)c3c2=O)cc1
• InChI: InChI=1S/C28H24N4O2.C25H21N5O2.C2H6/c1-18-13-15-20(16-14-18)32-28(34)26-24(21-10-4-6-12-23(21)30(26)2)25(29-32)27(33)31-17-7-9-19-8-3-5-11-22(19)31;1-3-29(17-13-15-26-16-14-17)24(31)22-21-19-11-7-8-12-20(19)28(2)23(21)25(32)30(27-22)18-9-5-4-6-10-18;1-2/h3-6,8,10-16H,7,9,17H2,1-2H3;4-16H,3H2,1-2H3;1-2H3
• InChIKey: NESCRMQZFOIIJM-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 133.15 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	902.07
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide?

The IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide (CID 144728443) is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide.

What is the SMILES notation for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide?

The canonical SMILES for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide is CC.CCN(C(=O)c1nn(-c2ccccc2)c(=O)c2c1c1ccccc1n2C)c1ccncc1.Cc1ccc(-n2nc(C(=O)N3CCCc4ccccc43)c3c4ccccc4n(C)c3c2=O)cc1.

What is the InChIKey of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide?

The InChIKey is NESCRMQZFOIIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2.C25H21N5O2.C2H6/c1-18-13-15-20(16-14-18)32-28(34)26-24(21-10-4-6-12-23(21)30(26)2)25(29-32)27(33)31-17-7-9-19-8-3-5-11-22(19)31;1-3-29(17-13-15-26-16-14-17)24(31)22-21-19-11-7-8-12-20(19)28(2)23(21)25(32)30(27-22)18-9-5-4-6-10-18;1-2/h3-6,8,10-16H,7,9,17H2,1-2H3;4-16H,3H2,1-2H3;1-2H3.

What are the key properties of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide?

1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide has a molecular weight of 902.07 g/mol, XLogP of 9.74, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide is sourced from PubChem (CID 144728443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).