8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline

C20H19N3O — CID 82240060

IUPAC8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline
SMILESc1cnc2c(OCc3ccc(C4=NCCCN4)cc3)cccc2c1
InChIInChI=1S/C20H19N3O/c1-4-16-5-2-11-21-19(16)18(6-1)24-14-15-7-9-17(10-8-15)20-22-12-3-13-23-20/h1-2,4-11H,3,12-14H2,(H,22,23)
InChIKeyJZQAILAJYUIQOB-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.55
Rot. Bonds4

About 8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline

8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline (PubChem CID 82240060) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline.

Molecular Properties

Compound Name8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline
PubChem CID82240060
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline
SMILESc1cnc2c(OCc3ccc(C4=NCCCN4)cc3)cccc2c1
InChIInChI=1S/C20H19N3O/c1-4-16-5-2-11-21-19(16)18(6-1)24-14-15-7-9-17(10-8-15)20-22-12-3-13-23-20/h1-2,4-11H,3,12-14H2,(H,22,23)
InChIKeyJZQAILAJYUIQOB-UHFFFAOYSA-N
XLogP3.55
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240172
2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252851
8-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]oxy]quinoline
CID 82250675
2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine
CID 82247194
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249355
2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82249038
2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240126
4-(quinolin-8-yloxymethyl)benzenecarboximidamide
CID 28825198
2-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252846
N-methyl-5-(quinolin-8-yloxymethyl)pyridin-2-amine
CID 62194480
2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239974

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline?
The IUPAC name of 8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline (CID 82240060) is 8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline.
What is the SMILES notation for 8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline?
The canonical SMILES for 8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline is c1cnc2c(OCc3ccc(C4=NCCCN4)cc3)cccc2c1.
What is the InChIKey of 8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline?
The InChIKey is JZQAILAJYUIQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-4-16-5-2-11-21-19(16)18(6-1)24-14-15-7-9-17(10-8-15)20-22-12-3-13-23-20/h1-2,4-11H,3,12-14H2,(H,22,23).
What are the key properties of 8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline?
8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline has a molecular weight of 317.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline is sourced from PubChem (CID 82240060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).