2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid

C19H20N4O6 — CID 67086264

IUPAC2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc3c(N4CCOCC4)cccc3n21
InChIInChI=1S/C19H20N4O6/c1-21-19(28)16(18(27)20-10-15(24)25)17(26)14-9-11-12(22-5-7-29-8-6-22)3-2-4-13(11)23(14)21/h2-4,9,26H,5-8,10H2,1H3,(H,20,27)(H,24,25)
InChIKeyJRTFMNALXNVJCQ-UHFFFAOYSA-N
MW400.39 g/mol
LogP0.15
Rot. Bonds4

About 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid

2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid (PubChem CID 67086264) has the molecular formula C19H20N4O6 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid
PubChem CID67086264
Molecular FormulaC19H20N4O6
Molecular Weight400.39 g/mol
Exact Mass400.14
IUPAC Name2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc3c(N4CCOCC4)cccc3n21
InChIInChI=1S/C19H20N4O6/c1-21-19(28)16(18(27)20-10-15(24)25)17(26)14-9-11-12(22-5-7-29-8-6-22)3-2-4-13(11)23(14)21/h2-4,9,26H,5-8,10H2,1H3,(H,20,27)(H,24,25)
InChIKeyJRTFMNALXNVJCQ-UHFFFAOYSA-N
XLogP0.15
TPSA125.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[(4,6-dihydroxy-8-methoxy-1-methyl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid
CID 54738437
2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid
CID 67086606
2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid
CID 67086366
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
2-[[1-(2-cyclopropylethyl)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685224
2-[[1-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685150
2-[(6-benzyl-4-hydroxy-1,5,7-trimethyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl)amino]acetic acid
CID 54738393
2-[[4-hydroxy-1-methyl-6-[[[2-[[(2S)-4-methyl-2-(3-morpholin-4-ylpropanoylamino)pentanoyl]amino]acetyl]amino]methyl]-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54741448
2-[[2-[(Z)-ethylideneamino]-4-hydroxy-8-morpholin-4-yl-1H-isoquinoline-3-carbonyl]amino]acetic acid
CID 177154095
2-[(1-cyclopentyl-4-hydroxy-8-methoxy-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid
CID 67086623
2-[[1-(2-cyclohexylethyl)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685207
2-[(1-cyclohexyl-4-hydroxy-8-methoxy-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid
CID 67086434

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid (CID 67086264) is 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc3c(N4CCOCC4)cccc3n21.
What is the InChIKey of 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid?
The InChIKey is JRTFMNALXNVJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6/c1-21-19(28)16(18(27)20-10-15(24)25)17(26)14-9-11-12(22-5-7-29-8-6-22)3-2-4-13(11)23(14)21/h2-4,9,26H,5-8,10H2,1H3,(H,20,27)(H,24,25).
What are the key properties of 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid?
2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid has a molecular weight of 400.39 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 67086264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).