2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine

C22H23N5O4 — CID 142687227

IUPAC2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine
SMILESCOc1cc2ncn3c(-c4ccc(OCC5CNCCO5)cc4)nnc3c2cc1OC
InChIInChI=1S/C22H23N5O4/c1-28-19-9-17-18(10-20(19)29-2)24-13-27-21(25-26-22(17)27)14-3-5-15(6-4-14)31-12-16-11-23-7-8-30-16/h3-6,9-10,13,16,23H,7-8,11-12H2,1-2H3
InChIKeyNIXPALYXYDIRAB-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.33
Rot. Bonds6

About 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine

2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine (PubChem CID 142687227) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine
PubChem CID142687227
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine
SMILESCOc1cc2ncn3c(-c4ccc(OCC5CNCCO5)cc4)nnc3c2cc1OC
InChIInChI=1S/C22H23N5O4/c1-28-19-9-17-18(10-20(19)29-2)24-13-27-21(25-26-22(17)27)14-3-5-15(6-4-14)31-12-16-11-23-7-8-30-16/h3-6,9-10,13,16,23H,7-8,11-12H2,1-2H3
InChIKeyNIXPALYXYDIRAB-UHFFFAOYSA-N
XLogP2.33
TPSA92.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine with MolForge

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Related Compounds

9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline
CID 142687218
N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142674982
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine
CID 170342980
7-methoxy-6-(morpholin-2-ylmethoxy)-N-(4-propylphenyl)quinazolin-4-amine
CID 142675011
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142675021
(2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine
CID 71744404
2-[(4-ethylsulfonylphenoxy)methyl]morpholine
CID 114469326
2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
2-[2-(4-methylphenoxy)ethyl]morpholine
CID 54402236

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine?
The IUPAC name of 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine (CID 142687227) is 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine.
What is the SMILES notation for 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine?
The canonical SMILES for 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine is COc1cc2ncn3c(-c4ccc(OCC5CNCCO5)cc4)nnc3c2cc1OC.
What is the InChIKey of 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine?
The InChIKey is NIXPALYXYDIRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-28-19-9-17-18(10-20(19)29-2)24-13-27-21(25-26-22(17)27)14-3-5-15(6-4-14)31-12-16-11-23-7-8-30-16/h3-6,9-10,13,16,23H,7-8,11-12H2,1-2H3.
What are the key properties of 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine?
2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine has a molecular weight of 421.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine is sourced from PubChem (CID 142687227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).