N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C24H27N5O3 — CID 169151089

IUPACN-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3c(OC)cccc3c3nc(C4CC(C)C4)nn23)c(OC)c1
InChIInChI=1S/C24H27N5O3/c1-14-10-16(11-14)22-27-23-18-6-5-7-19(31-3)21(18)26-24(29(23)28-22)25-13-15-8-9-17(30-2)12-20(15)32-4/h5-9,12,14,16H,10-11,13H2,1-4H3,(H,25,26)
InChIKeyZGWROUFOLDCKOM-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.43
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169151089) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169151089
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3c(OC)cccc3c3nc(C4CC(C)C4)nn23)c(OC)c1
InChIInChI=1S/C24H27N5O3/c1-14-10-16(11-14)22-27-23-18-6-5-7-19(31-3)21(18)26-24(29(23)28-22)25-13-15-8-9-17(30-2)12-20(15)32-4/h5-9,12,14,16H,10-11,13H2,1-4H3,(H,25,26)
InChIKeyZGWROUFOLDCKOM-UHFFFAOYSA-N
XLogP4.43
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169151089) is N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1ccc(CNc2nc3c(OC)cccc3c3nc(C4CC(C)C4)nn23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is ZGWROUFOLDCKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-14-10-16(11-14)22-27-23-18-6-5-7-19(31-3)21(18)26-24(29(23)28-22)25-13-15-8-9-17(30-2)12-20(15)32-4/h5-9,12,14,16H,10-11,13H2,1-4H3,(H,25,26).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 433.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169151089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).