2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline

C15H12ClN3O3 — CID 151928380

IUPAC2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline
SMILESCOc1cc(OC)nc(Oc2cc(Cl)nc3ccccc23)n1
InChIInChI=1S/C15H12ClN3O3/c1-20-13-8-14(21-2)19-15(18-13)22-11-7-12(16)17-10-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKeySYGJWJHFZGWVII-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.49
Rot. Bonds4

About 2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline

2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline (PubChem CID 151928380) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline.

Molecular Properties

Compound Name2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline
PubChem CID151928380
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline
SMILESCOc1cc(OC)nc(Oc2cc(Cl)nc3ccccc23)n1
InChIInChI=1S/C15H12ClN3O3/c1-20-13-8-14(21-2)19-15(18-13)22-11-7-12(16)17-10-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKeySYGJWJHFZGWVII-UHFFFAOYSA-N
XLogP3.49
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline
CID 102235402
2-chloro-4-(trifluoromethoxy)quinoline
CID 150452765
4-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 15611931
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
2-methoxyquinolin-4-amine;hydrochloride
CID 126782028
4,6-dimethoxy-2-pyridin-2-yloxypyrimidine
CID 91802250
2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801417
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
CID 15612007
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline?
The IUPAC name of 2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline (CID 151928380) is 2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline.
What is the SMILES notation for 2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline?
The canonical SMILES for 2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline is COc1cc(OC)nc(Oc2cc(Cl)nc3ccccc23)n1.
What is the InChIKey of 2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline?
The InChIKey is SYGJWJHFZGWVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-20-13-8-14(21-2)19-15(18-13)22-11-7-12(16)17-10-6-4-3-5-9(10)11/h3-8H,1-2H3.
What are the key properties of 2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline?
2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline has a molecular weight of 317.73 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline is sourced from PubChem (CID 151928380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).