9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline

C22H23N5O2 — CID 142687218

IUPAC9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCOc1cc2c(cc1OCCN1CCCC1)ncn1c(-c3ccccc3)nnc21
InChIInChI=1S/C22H23N5O2/c1-28-19-13-17-18(14-20(19)29-12-11-26-9-5-6-10-26)23-15-27-21(24-25-22(17)27)16-7-3-2-4-8-16/h2-4,7-8,13-15H,5-6,9-12H2,1H3
InChIKeyDTFLERIENLJYTJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.43
Rot. Bonds6

About 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline

9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 142687218) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID142687218
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCOc1cc2c(cc1OCCN1CCCC1)ncn1c(-c3ccccc3)nnc21
InChIInChI=1S/C22H23N5O2/c1-28-19-13-17-18(14-20(19)29-12-11-26-9-5-6-10-26)23-15-27-21(24-25-22(17)27)16-7-3-2-4-8-16/h2-4,7-8,13-15H,5-6,9-12H2,1H3
InChIKeyDTFLERIENLJYTJ-UHFFFAOYSA-N
XLogP3.43
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline with MolForge

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Related Compounds

1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide
CID 10276098
2-[[4-(8,9-dimethoxy-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]methyl]morpholine
CID 142687227
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
CID 130345739
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790
1-(2,6-dimethylphenyl)-3-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]thiourea
CID 22243890
N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 159601354
10-bromo-3-methoxy-2-[3-(4-methylpiperazin-1-yl)propoxy]quinazolino[4,3-b]quinazolin-8-one
CID 141212921
4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
CID 141064108
2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552193
2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole
CID 57413470

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline (CID 142687218) is 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline is COc1cc2c(cc1OCCN1CCCC1)ncn1c(-c3ccccc3)nnc21.
What is the InChIKey of 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is DTFLERIENLJYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-28-19-13-17-18(14-20(19)29-12-11-26-9-5-6-10-26)23-15-27-21(24-25-22(17)27)16-7-3-2-4-8-16/h2-4,7-8,13-15H,5-6,9-12H2,1H3.
What are the key properties of 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline?
9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 389.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 142687218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).