5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol

C19H15BrN4O2 — CID 174054195

IUPAC5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol
SMILESCN1C=NC=C(c2ccc3cc(Oc4ccnc(Br)c4)ccc3n2)C1O
InChIInChI=1S/C19H15BrN4O2/c1-24-11-21-10-15(19(24)25)17-4-2-12-8-13(3-5-16(12)23-17)26-14-6-7-22-18(20)9-14/h2-11,19,25H,1H3
InChIKeyRZHXTYXKBLMPCK-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.82
Rot. Bonds3

About 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol

5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol (PubChem CID 174054195) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol.

Molecular Properties

Compound Name5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol
PubChem CID174054195
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC Name5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol
SMILESCN1C=NC=C(c2ccc3cc(Oc4ccnc(Br)c4)ccc3n2)C1O
InChIInChI=1S/C19H15BrN4O2/c1-24-11-21-10-15(19(24)25)17-4-2-12-8-13(3-5-16(12)23-17)26-14-6-7-22-18(20)9-14/h2-11,19,25H,1H3
InChIKeyRZHXTYXKBLMPCK-UHFFFAOYSA-N
XLogP3.82
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine
CID 168966518
5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpyrimidin-4-one
CID 170055764
tert-butyl 7-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate
CID 170056553
2-bromo-6-(4-methylphenoxy)quinoline
CID 102941044
N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide
CID 170056426
5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one
CID 170055092
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide
CID 170055162
N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide
CID 170055157
3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 170055168
2-(3,5-dimethylphenyl)-6-methoxyquinoline
CID 58871188
5-[[2-(1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methylbenzimidazole
CID 141078961

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol?
The IUPAC name of 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol (CID 174054195) is 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol.
What is the SMILES notation for 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol?
The canonical SMILES for 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol is CN1C=NC=C(c2ccc3cc(Oc4ccnc(Br)c4)ccc3n2)C1O.
What is the InChIKey of 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol?
The InChIKey is RZHXTYXKBLMPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-24-11-21-10-15(19(24)25)17-4-2-12-8-13(3-5-16(12)23-17)26-14-6-7-22-18(20)9-14/h2-11,19,25H,1H3.
What are the key properties of 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol?
5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol has a molecular weight of 411.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-3-methyl-4H-pyrimidin-4-ol is sourced from PubChem (CID 174054195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).