3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C22H23N5O2 — CID 42864468

IUPAC3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOc1cccc(-c2nnc3c4cc(C)ccc4nc(NCC4CCCO4)n23)c1
InChIInChI=1S/C22H23N5O2/c1-14-8-9-19-18(11-14)21-26-25-20(15-5-3-6-16(12-15)28-2)27(21)22(24-19)23-13-17-7-4-10-29-17/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H,23,24)
InChIKeyFIEYMFGCSIUJDL-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.85
Rot. Bonds5

About 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 42864468) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID42864468
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOc1cccc(-c2nnc3c4cc(C)ccc4nc(NCC4CCCO4)n23)c1
InChIInChI=1S/C22H23N5O2/c1-14-8-9-19-18(11-14)21-26-25-20(15-5-3-6-16(12-15)28-2)27(21)22(24-19)23-13-17-7-4-10-29-17/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H,23,24)
InChIKeyFIEYMFGCSIUJDL-UHFFFAOYSA-N
XLogP3.85
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine with MolForge

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Related Compounds

N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063348
8-chloro-3-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864408
6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 117090820
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909
2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1313899
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
5-(4-benzylpiperidin-1-yl)-3-(3,5-dimethoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063439
5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
CID 99826482
2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51436052
4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93297649
[1-methyl-4-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
CID 40642359
3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864553

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 42864468) is 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is COc1cccc(-c2nnc3c4cc(C)ccc4nc(NCC4CCCO4)n23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is FIEYMFGCSIUJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-8-9-19-18(11-14)21-26-25-20(15-5-3-6-16(12-15)28-2)27(21)22(24-19)23-13-17-7-4-10-29-17/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H,23,24).
What are the key properties of 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 389.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 42864468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).