6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline

C22H19ClN4O2 — CID 23156553

IUPAC6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline
SMILESCc1ccc(Oc2ccnc3ccc(OCCCCl)cc23)c(-c2ncccn2)n1
InChIInChI=1S/C22H19ClN4O2/c1-15-4-7-20(21(27-15)22-25-10-3-11-26-22)29-19-8-12-24-18-6-5-16(14-17(18)19)28-13-2-9-23/h3-8,10-12,14H,2,9,13H2,1H3
InChIKeyRTFBTKVFAHGKQL-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.20
Rot. Bonds7

About 6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline

6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline (PubChem CID 23156553) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline.

Molecular Properties

Compound Name6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline
PubChem CID23156553
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline
SMILESCc1ccc(Oc2ccnc3ccc(OCCCCl)cc23)c(-c2ncccn2)n1
InChIInChI=1S/C22H19ClN4O2/c1-15-4-7-20(21(27-15)22-25-10-3-11-26-22)29-19-8-12-24-18-6-5-16(14-17(18)19)28-13-2-9-23/h3-8,10-12,14H,2,9,13H2,1H3
InChIKeyRTFBTKVFAHGKQL-UHFFFAOYSA-N
XLogP5.20
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[3-[4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinolin-6-yl]oxypropyl]amino]ethanol
CID 23156550
2-[N-[3-[4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinolin-6-yl]oxypropyl]anilino]ethanol
CID 23156484
[6-(3-chloropropoxy)quinolin-4-yl]methanediol
CID 170312063
7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline
CID 23078503
1-[4-[7-(3-chloropropoxy)-6-methylquinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 58674850
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine
CID 103174392
5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline
CID 145139401
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-6-methylquinoline
CID 23156612
6-butoxyquinoline-4-carbaldehyde
CID 178020180
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
[2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
CID 87592843
4-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79231453

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline?
The IUPAC name of 6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline (CID 23156553) is 6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline.
What is the SMILES notation for 6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline?
The canonical SMILES for 6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline is Cc1ccc(Oc2ccnc3ccc(OCCCCl)cc23)c(-c2ncccn2)n1.
What is the InChIKey of 6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline?
The InChIKey is RTFBTKVFAHGKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-15-4-7-20(21(27-15)22-25-10-3-11-26-22)29-19-8-12-24-18-6-5-16(14-17(18)19)28-13-2-9-23/h3-8,10-12,14H,2,9,13H2,1H3.
What are the key properties of 6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline?
6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline has a molecular weight of 406.87 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloropropoxy)-4-[(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)oxy]quinoline is sourced from PubChem (CID 23156553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).