4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine

C20H15ClN4O2 — CID 19141838

IUPAC4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine
SMILESCc1cc(Oc2ncnc(Oc3cccc4cccnc34)c2N)ccc1Cl
InChIInChI=1S/C20H15ClN4O2/c1-12-10-14(7-8-15(12)21)26-19-17(22)20(25-11-24-19)27-16-6-2-4-13-5-3-9-23-18(13)16/h2-11H,22H2,1H3
InChIKeySIKXNIXSOZLYCZ-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.15
Rot. Bonds4

About 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine

4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine (PubChem CID 19141838) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine
PubChem CID19141838
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine
SMILESCc1cc(Oc2ncnc(Oc3cccc4cccnc34)c2N)ccc1Cl
InChIInChI=1S/C20H15ClN4O2/c1-12-10-14(7-8-15(12)21)26-19-17(22)20(25-11-24-19)27-16-6-2-4-13-5-3-9-23-18(13)16/h2-11H,22H2,1H3
InChIKeySIKXNIXSOZLYCZ-UHFFFAOYSA-N
XLogP5.15
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dimethylphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19154336
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248
4-propan-2-yloxy-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141825
4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19152831
4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
CID 19150391
4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19141886
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294
8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline
CID 102749564
4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141766
2-methoxy-4-quinolin-8-yloxyaniline
CID 63678209
4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22541342

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine (CID 19141838) is 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine is Cc1cc(Oc2ncnc(Oc3cccc4cccnc34)c2N)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine?
The InChIKey is SIKXNIXSOZLYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-12-10-14(7-8-15(12)21)26-19-17(22)20(25-11-24-19)27-16-6-2-4-13-5-3-9-23-18(13)16/h2-11H,22H2,1H3.
What are the key properties of 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine?
4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine has a molecular weight of 378.82 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine is sourced from PubChem (CID 19141838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).