1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one

C28H24N4O3 — CID 20855993

IUPAC1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCCc4ccccc43)c3c4ccccc4n(C)c3c2=O)cc1
InChIInChI=1S/C28H24N4O3/c1-30-23-12-6-4-10-21(23)24-25(27(33)31-17-7-9-18-8-3-5-11-22(18)31)29-32(28(34)26(24)30)19-13-15-20(35-2)16-14-19/h3-6,8,10-16H,7,9,17H2,1-2H3
InChIKeyJWATVLRIVXKTHJ-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.48
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one

1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one (PubChem CID 20855993) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
PubChem CID20855993
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCCc4ccccc43)c3c4ccccc4n(C)c3c2=O)cc1
InChIInChI=1S/C28H24N4O3/c1-30-23-12-6-4-10-21(23)24-25(27(33)31-17-7-9-18-8-3-5-11-22(18)31)29-32(28(34)26(24)30)19-13-15-20(35-2)16-14-19/h3-6,8,10-16H,7,9,17H2,1-2H3
InChIKeyJWATVLRIVXKTHJ-UHFFFAOYSA-N
XLogP4.48
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one with MolForge

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Related Compounds

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
1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 20856060
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856055
3-(3-chloro-4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 46254771
N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 6619574
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one
CID 3711758
3-(4-methoxyphenyl)-5-methyl-N-(3-methylsulfanylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856075
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856016
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
CID 8555810
N-(5-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856022
3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20858123
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 3236506

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one (CID 20855993) is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one is COc1ccc(-n2nc(C(=O)N3CCCc4ccccc43)c3c4ccccc4n(C)c3c2=O)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one?
The InChIKey is JWATVLRIVXKTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-30-23-12-6-4-10-21(23)24-25(27(33)31-17-7-9-18-8-3-5-11-22(18)31)29-32(28(34)26(24)30)19-13-15-20(35-2)16-14-19/h3-6,8,10-16H,7,9,17H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one?
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one has a molecular weight of 464.53 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 20855993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).