6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one

C20H17ClN6O2 — CID 178009553

IUPAC6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one
SMILESC[C@H](Oc1ccc(-c2cncc(Cl)c2)c2ncnc(N)c12)c1ccc(=O)n(C)n1
InChIInChI=1S/C20H17ClN6O2/c1-11(15-4-6-17(28)27(2)26-15)29-16-5-3-14(12-7-13(21)9-23-8-12)19-18(16)20(22)25-10-24-19/h3-11H,1-2H3,(H2,22,24,25)/t11-/m0/s1
InChIKeyFFSWMBHXEYFJGL-NSHDSACASA-N
MW408.85 g/mol
LogP3.16
Rot. Bonds4

About 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one

6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one (PubChem CID 178009553) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one
PubChem CID178009553
Molecular FormulaC20H17ClN6O2
Molecular Weight408.85 g/mol
Exact Mass408.11
IUPAC Name6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one
SMILESC[C@H](Oc1ccc(-c2cncc(Cl)c2)c2ncnc(N)c12)c1ccc(=O)n(C)n1
InChIInChI=1S/C20H17ClN6O2/c1-11(15-4-6-17(28)27(2)26-15)29-16-5-3-14(12-7-13(21)9-23-8-12)19-18(16)20(22)25-10-24-19/h3-11H,1-2H3,(H2,22,24,25)/t11-/m0/s1
InChIKeyFFSWMBHXEYFJGL-NSHDSACASA-N
XLogP3.16
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one
CID 121497912
8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine
CID 178009446
8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine
CID 178009496
6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one
CID 82442102
3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269231
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine
CID 178009294
8-bromo-5-[1-(1,3-dimethylpyrazolo[4,3-d]pyrimidin-5-yl)ethoxy]-7-fluoroquinazolin-4-amine
CID 178009365
2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one
CID 178009381
8-bromo-5-[(1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethoxy]-7-methoxyquinazolin-4-amine
CID 178009256
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134626259
CID 177369048
CID 177369048

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one (CID 178009553) is 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one is C[C@H](Oc1ccc(-c2cncc(Cl)c2)c2ncnc(N)c12)c1ccc(=O)n(C)n1.
What is the InChIKey of 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one?
The InChIKey is FFSWMBHXEYFJGL-NSHDSACASA-N. The full InChI is InChI=1S/C20H17ClN6O2/c1-11(15-4-6-17(28)27(2)26-15)29-16-5-3-14(12-7-13(21)9-23-8-12)19-18(16)20(22)25-10-24-19/h3-11H,1-2H3,(H2,22,24,25)/t11-/m0/s1.
What are the key properties of 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one?
6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one has a molecular weight of 408.85 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 178009553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).