2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

C19H20N6O — CID 136508628

IUPAC2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESCc1nc2cccc(-c3cc4c(=O)[nH]ncc4[nH]3)c2nc1NC(C)(C)C
InChIInChI=1S/C19H20N6O/c1-10-17(24-19(2,3)4)23-16-11(6-5-7-13(16)21-10)14-8-12-15(22-14)9-20-25-18(12)26/h5-9,22H,1-4H3,(H,23,24)(H,25,26)
InChIKeyVKGQNHBAFASGIN-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.38
Rot. Bonds2

About 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (PubChem CID 136508628) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
PubChem CID136508628
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESCc1nc2cccc(-c3cc4c(=O)[nH]ncc4[nH]3)c2nc1NC(C)(C)C
InChIInChI=1S/C19H20N6O/c1-10-17(24-19(2,3)4)23-16-11(6-5-7-13(16)21-10)14-8-12-15(22-14)9-20-25-18(12)26/h5-9,22H,1-4H3,(H,23,24)(H,25,26)
InChIKeyVKGQNHBAFASGIN-UHFFFAOYSA-N
XLogP3.38
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one with MolForge

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Related Compounds

tert-butyl (6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-4-oxo-1,6-dihydropyrrolo[3,4-b]pyrrole-5-carboxylate
CID 71732052
7-but-2-ynyl-2-[3-(but-2-ynylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 144566559
2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90035175
2-[3-(tert-butylamino)-2-[(1S)-1-hydroxyethyl]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 71732050
(6S)-2-[3-(tert-butylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
CID 71731782
2-[3-[[(E)-but-2-enyl]amino]-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 144566495
ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane
CID 144566553
2-bromo-1,5,6,7-tetrahydroindol-4-one;N-(2-bromo-1,5,6,7-tetrahydroindol-4-ylidene)hydroxylamine;2-bromo-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one;2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one;N-tert-butyl-3-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine
CID 158340662
8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 157225112
N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide
CID 144566463
(7S)-2-[3-[[(2S)-1-hydroxybut-3-en-2-yl]amino]-2-methylquinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90035274
1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile
CID 123237042

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (CID 136508628) is 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is Cc1nc2cccc(-c3cc4c(=O)[nH]ncc4[nH]3)c2nc1NC(C)(C)C.
What is the InChIKey of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is VKGQNHBAFASGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-10-17(24-19(2,3)4)23-16-11(6-5-7-13(16)21-10)14-8-12-15(22-14)9-20-25-18(12)26/h5-9,22H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 348.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 136508628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).