N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine

C21H24FN7O — CID 18953417

IUPACN'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCN(CCN(C)C)c1nc2c(-c3nc(C4CC4)no3)ncn2c2ccc(F)cc12
InChIInChI=1S/C21H24FN7O/c1-4-28(10-9-27(2)3)19-15-11-14(22)7-8-16(15)29-12-23-17(20(29)25-19)21-24-18(26-30-21)13-5-6-13/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyQNIADWPKJBRTOE-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.34
Rot. Bonds7

About N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine

N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine (PubChem CID 18953417) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
PubChem CID18953417
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC NameN'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCN(CCN(C)C)c1nc2c(-c3nc(C4CC4)no3)ncn2c2ccc(F)cc12
InChIInChI=1S/C21H24FN7O/c1-4-28(10-9-27(2)3)19-15-11-14(22)7-8-16(15)29-12-23-17(20(29)25-19)21-24-18(26-30-21)13-5-6-13/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyQNIADWPKJBRTOE-UHFFFAOYSA-N
XLogP3.34
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine (CID 18953417) is N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine is CCN(CCN(C)C)c1nc2c(-c3nc(C4CC4)no3)ncn2c2ccc(F)cc12.
What is the InChIKey of N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The InChIKey is QNIADWPKJBRTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-4-28(10-9-27(2)3)19-15-11-14(22)7-8-16(15)29-12-23-17(20(29)25-19)21-24-18(26-30-21)13-5-6-13/h7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine has a molecular weight of 409.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-fluoroimidazo[1,5-a]quinazolin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 18953417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).