2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline

C24H19N5O — CID 11538425

IUPAC2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline
SMILESCn1nnc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H19N5O/c1-29-24(23(27-28-29)18-12-14-25-15-13-18)19-7-10-21(11-8-19)30-16-20-9-6-17-4-2-3-5-22(17)26-20/h2-15H,16H2,1H3
InChIKeyDVBMYTDVYSCDOG-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.67
Rot. Bonds5

About 2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline

2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline (PubChem CID 11538425) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline
PubChem CID11538425
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline
SMILESCn1nnc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H19N5O/c1-29-24(23(27-28-29)18-12-14-25-15-13-18)19-7-10-21(11-8-19)30-16-20-9-6-17-4-2-3-5-22(17)26-20/h2-15H,16H2,1H3
InChIKeyDVBMYTDVYSCDOG-UHFFFAOYSA-N
XLogP4.67
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole
CID 11603302
2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline
CID 11646834
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
4-pyridin-4-yl-7-(quinolin-2-ylmethoxy)quinazoline
CID 24944868
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]ethyl methanesulfonate
CID 58544885
2-[[4-(2-methyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline
CID 11662225
2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline
CID 176514693
ethyl 2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]acetate
CID 167444594
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,6-naphthyridine
CID 140627213
7-chloro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline;hydron;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline;chloride
CID 69225611

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline (CID 11538425) is 2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline is Cn1nnc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline?
The InChIKey is DVBMYTDVYSCDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-29-24(23(27-28-29)18-12-14-25-15-13-18)19-7-10-21(11-8-19)30-16-20-9-6-17-4-2-3-5-22(17)26-20/h2-15H,16H2,1H3.
What are the key properties of 2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline?
2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline has a molecular weight of 393.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 11538425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).