7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C22H18N4O — CID 24849071

IUPAC7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESc1ccc(COc2ccc3c(c2)CCc2nnc(-c4ccncc4)n2-3)cc1
InChIInChI=1S/C22H18N4O/c1-2-4-16(5-3-1)15-27-19-7-8-20-18(14-19)6-9-21-24-25-22(26(20)21)17-10-12-23-13-11-17/h1-5,7-8,10-14H,6,9,15H2
InChIKeyMAHXEUCZRZGULQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.01
Rot. Bonds4

About 7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 24849071) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID24849071
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESc1ccc(COc2ccc3c(c2)CCc2nnc(-c4ccncc4)n2-3)cc1
InChIInChI=1S/C22H18N4O/c1-2-4-16(5-3-1)15-27-19-7-8-20-18(14-19)6-9-21-24-25-22(26(20)21)17-10-12-23-13-11-17/h1-5,7-8,10-14H,6,9,15H2
InChIKeyMAHXEUCZRZGULQ-UHFFFAOYSA-N
XLogP4.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(4-methylphenyl)methoxy]-4,5-dihydroimidazo[1,2-a]quinoline
CID 71574631
8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one
CID 42598490
methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole
CID 144549825
1-[(2-fluorophenyl)methoxy]-7-[(4-fluorophenyl)methoxy]-4,5-dihydroimidazo[1,2-a]quinoline
CID 141312288
7-phenylmethoxy-4-pyridin-4-ylquinazoline
CID 69163719
CID 176987273
CID 176987273
cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
CID 71610242
7-[(2-fluorophenyl)methoxy]-4,5-dihydroimidazo[1,2-a]quinoline
CID 71574536
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
CID 102595555
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine
CID 141287683

Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 24849071) is 7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is c1ccc(COc2ccc3c(c2)CCc2nnc(-c4ccncc4)n2-3)cc1.
What is the InChIKey of 7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is MAHXEUCZRZGULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-2-4-16(5-3-1)15-27-19-7-8-20-18(14-19)6-9-21-24-25-22(26(20)21)17-10-12-23-13-11-17/h1-5,7-8,10-14H,6,9,15H2.
What are the key properties of 7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 354.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 24849071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).